Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 4 results

Search term: UGOZVNFCFYTPAZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17293781

50 of 50 defined stereocentres - 50/50 defined
InChI=1/C267H402N64O76S6/c1-29-32-33-34-35-36-37-38-39-40-50-64-204(347)280-95-52-51-61-170(265(404)405)298-256(395)197-63-54-97-331(197)264(403)220(147(28)336)330-248(387)182(110-154-71-79-160(340)80-72-154)309-240(379)178(106-150-59-48-43-49-60-150)307-237(376)177(105-149-57-46-42-47-58-149)289-207(350)120-282-223(362)162(62-53-96-281-267(276)277)291-227(366)163(84-91-209(352)353)288-206(349)119-283-225(364)192-126-409-410-127-193(252(391)314-187(266(406)407)115-203(275)346)319-241(380)181(109-153-69-77-159(339)78-70-153)308-245(384)185(113-201(273)344)312-231(370)168(86-93-211(356)357)295-233(372)172(99-134(6)7)300-229(368)164(81-88-198(270)341)293-238(377)179(107-151-65-73-157(337)74-66-151)305-235(374)173(100-135(8)9)304-250(389)189(123-333)315-253(392)195-129-412-411-128-194(318-232(371)166(83-90-200(272)343)292-228(367)169(87-94-212(358)359)297-258(397)216(142(22)23)327-262(401)217(143(24)30-2)323-205(348)116-268)254(393)320-196(255(394)329-219(146(27)335)263(402)316-190(124-334)251(390)328-218(144(25)31-3)261(400)322-195)130-413-408-125-191(317-236(375)174(101-136(10)11)301-242(381)183(111-155-117-278-131-285-155)310-230(369)165(82-89-199(271)342)294-244(383)186(114-202(274)345)313-259(398)213(139(16)17)324-222(361)161(269)104-148-55-44-41-45-56-148)224(363)284-121-208(351)290-188(122-332)249(388)311-184(112-156-118-279-132-286-156)243(382)303-176(103-138(14)15)247(386)325-214(140(18)19)257(396)296-167(85-92-210(354)355)226(365)287-145(26)221(360)299-171(98-133(4)5)234(373)306-180(108-152-67-75-158(338)76-68-152)239(378)302-175(102-137(12)13)246(385)326-215(141(20)21)260(399)321-192/h41-49,55-60,65-80,117-118,131-147,161-197,213-220,332-340H,29-40,50-54,61-64,81-116,119-130,268-269H2,1-28H3,(H2,270,341)(H2,271,342)(H2,272,343)(H2,273,344)(H2,274,345)(H2,275,346)(H,278,285)(H,279,286)(H,280,347)(H,282,362)(H,283,364)(H,284,363)(H,287,365)(H,288,349)(H,289,350)(H,290,351)(H,291,366)(H,292,367)(H,293,377)(H,294,383)(H,295,372)(H,296,396)(H,297,397)(H,298,395)(H,299,360)(H,300,368)(H,301,381)(H,302,378)(H,303,382)(H,304,389)(H,305,374)(H,306,373)(H,307,376)(H,308,384)(H,309,379)(H,310,369)(H,311,388)(H,312,370)(H,313,398)(H,314,391)(H,315,392)(H,316,402)(H,317,375)(H,318,371)(H,319,380)(H,320,393)(H,321,399)(H,322,400)(H,323,348)(H,324,361)(H,325,386)(H,326,385)(H,327,401)(H,328,390)(H,329,394)(H,330,387)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,404,405)(H,406,407)(H4,276,277,281)/t143-,144-,145-,146+,147+,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,213-,214-,215-,216-,217-,218-,219-,220-/m0/s1
C267H402N64O76S65916.8219800001174200
57642374

48 of 50 defined stereocentres - 48/50 defined
InChI=1/C267H402N64O76S6/c1-29-32-33-34-35-36-37-38-39-40-50-64-204(347)280-95-52-51-61-170(265(404)405)298-256(395)197-63-54-97-331(197)264(403)220(147(28)336)330-248(387)182(110-154-71-79-160(340)80-72-154)309-240(379)178(106-150-59-48-43-49-60-150)307-237(376)177(105-149-57-46-42-47-58-149)289-207(350)120-282-223(362)162(62-53-96-281-267(276)277)291-227(366)163(84-91-209(352)353)288-206(349)119-283-225(364)192-126-409-410-127-193(252(391)314-187(266(406)407)115-203(275)346)319-241(380)181(109-153-69-77-159(339)78-70-153)308-245(384)185(113-201(273)344)312-231(370)168(86-93-211(356)357)295-233(372)172(99-134(6)7)300-229(368)164(81-88-198(270)341)293-238(377)179(107-151-65-73-157(337)74-66-151)305-235(374)173(100-135(8)9)304-250(389)189(123-333)315-253(392)195-129-412-411-128-194(318-232(371)166(83-90-200(272)343)292-228(367)169(87-94-212(358)359)297-258(397)216(142(22)23)327-262(401)217(143(24)30-2)323-205(348)116-268)254(393)320-196(255(394)329-219(146(27)335)263(402)316-190(124-334)251(390)328-218(144(25)31-3)261(400)322-195)130-413-408-125-191(317-236(375)174(101-136(10)11)301-242(381)183(111-155-117-278-131-285-155)310-230(369)165(82-89-199(271)342)294-244(383)186(114-202(274)345)313-259(398)213(139(16)17)324-222(361)161(269)104-148-55-44-41-45-56-148)224(363)284-121-208(351)290-188(122-332)249(388)311-184(112-156-118-279-132-286-156)243(382)303-176(103-138(14)15)247(386)325-214(140(18)19)257(396)296-167(85-92-210(354)355)226(365)287-145(26)221(360)299-171(98-133(4)5)234(373)306-180(108-152-67-75-158(338)76-68-152)239(378)302-175(102-137(12)13)246(385)326-215(141(20)21)260(399)321-192/h41-49,55-60,65-80,117-118,131-147,161-197,213-220,332-340H,29-40,50-54,61-64,81-116,119-130,268-269H2,1-28H3,(H2,270,341)(H2,271,342)(H2,272,343)(H2,273,344)(H2,274,345)(H2,275,346)(H,278,285)(H,279,286)(H,280,347)(H,282,362)(H,283,364)(H,284,363)(H,287,365)(H,288,349)(H,289,350)(H,290,351)(H,291,366)(H,292,367)(H,293,377)(H,294,383)(H,295,372)(H,296,396)(H,297,397)(H,298,395)(H,299,360)(H,300,368)(H,301,381)(H,302,378)(H,303,382)(H,304,389)(H,305,374)(H,306,373)(H,307,376)(H,308,384)(H,309,379)(H,310,369)(H,311,388)(H,312,370)(H,313,398)(H,314,391)(H,315,392)(H,316,402)(H,317,375)(H,318,371)(H,319,380)(H,320,393)(H,321,399)(H,322,400)(H,323,348)(H,324,361)(H,325,386)(H,326,385)(H,327,401)(H,328,390)(H,329,394)(H,330,387)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,404,405)(H,406,407)(H4,276,277,281)/t143-,144-,145-,146+,147+,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,213-,214-,215-,216-,217-,218?,219?,220-/m0/s1
C267H402N64O76S65916.821979999991100
123962046

37 of 50 defined stereocentres - 37/50 defined
InChI=1/C267H402N64O76S6/c1-29-32-33-34-35-36-37-38-39-40-50-64-204(347)280-95-52-51-61-170(265(404)405)298-256(395)197-63-54-97-331(197)264(403)220(147(28)336)330-248(387)182(110-154-71-79-160(340)80-72-154)309-240(379)178(106-150-59-48-43-49-60-150)307-237(376)177(105-149-57-46-42-47-58-149)289-207(350)120-282-223(362)162(62-53-96-281-267(276)277)291-227(366)163(84-91-209(352)353)288-206(349)119-283-225(364)192-126-409-410-127-193(252(391)314-187(266(406)407)115-203(275)346)319-241(380)181(109-153-69-77-159(339)78-70-153)308-245(384)185(113-201(273)344)312-231(370)168(86-93-211(356)357)295-233(372)172(99-134(6)7)300-229(368)164(81-88-198(270)341)293-238(377)179(107-151-65-73-157(337)74-66-151)305-235(374)173(100-135(8)9)304-250(389)189(123-333)315-253(392)195-129-412-411-128-194(318-232(371)166(83-90-200(272)343)292-228(367)169(87-94-212(358)359)297-258(397)216(142(22)23)327-262(401)217(143(24)30-2)323-205(348)116-268)254(393)320-196(255(394)329-219(146(27)335)263(402)316-190(124-334)251(390)328-218(144(25)31-3)261(400)322-195)130-413-408-125-191(317-236(375)174(101-136(10)11)301-242(381)183(111-155-117-278-131-285-155)310-230(369)165(82-89-199(271)342)294-244(383)186(114-202(274)345)313-259(398)213(139(16)17)324-222(361)161(269)104-148-55-44-41-45-56-148)224(363)284-121-208(351)290-188(122-332)249(388)311-184(112-156-118-279-132-286-156)243(382)303-176(103-138(14)15)247(386)325-214(140(18)19)257(396)296-167(85-92-210(354)355)226(365)287-145(26)221(360)299-171(98-133(4)5)234(373)306-180(108-152-67-75-158(338)76-68-152)239(378)302-175(102-137(12)13)246(385)326-215(141(20)21)260(399)321-192/h41-49,55-60,65-80,117-118,131-147,161-197,213-220,332-340H,29-40,50-54,61-64,81-116,119-130,268-269H2,1-28H3,(H2,270,341)(H2,271,342)(H2,272,343)(H2,273,344)(H2,274,345)(H2,275,346)(H,278,285)(H,279,286)(H,280,347)(H,282,362)(H,283,364)(H,284,363)(H,287,365)(H,288,349)(H,289,350)(H,290,351)(H,291,366)(H,292,367)(H,293,377)(H,294,383)(H,295,372)(H,296,396)(H,297,397)(H,298,395)(H,299,360)(H,300,368)(H,301,381)(H,302,378)(H,303,382)(H,304,389)(H,305,374)(H,306,373)(H,307,376)(H,308,384)(H,309,379)(H,310,369)(H,311,388)(H,312,370)(H,313,398)(H,314,391)(H,315,392)(H,316,402)(H,317,375)(H,318,371)(H,319,380)(H,320,393)(H,321,399)(H,322,400)(H,323,348)(H,324,361)(H,325,386)(H,326,385)(H,327,401)(H,328,390)(H,329,394)(H,330,387)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,404,405)(H,406,407)(H4,276,277,281)/t143-,144-,145?,146+,147+,161-,162-,163-,164?,165-,166-,167?,168?,169-,170-,171?,172?,173?,174-,175?,176?,177-,178-,179?,180?,181?,182-,183-,184?,185?,186-,187-,188?,189?,190-,191?,192?,193?,194-,195-,196-,197-,213-,214?,215?,216-,217-,218-,219-,220-/m0/s1
C267H402N64O76S65916.821979999971100
129306934

34 of 50 defined stereocentres - 34/50 defined
InChI=1/C267H402N64O76S6/c1-29-32-33-34-35-36-37-38-39-40-50-64-204(347)280-95-52-51-61-170(265(404)405)298-256(395)197-63-54-97-331(197)264(403)220(147(28)336)330-248(387)182(110-154-71-79-160(340)80-72-154)309-240(379)178(106-150-59-48-43-49-60-150)307-237(376)177(105-149-57-46-42-47-58-149)289-207(350)120-282-223(362)162(62-53-96-281-267(276)277)291-227(366)163(84-91-209(352)353)288-206(349)119-283-225(364)192-126-409-410-127-193(252(391)314-187(266(406)407)115-203(275)346)319-241(380)181(109-153-69-77-159(339)78-70-153)308-245(384)185(113-201(273)344)312-231(370)168(86-93-211(356)357)295-233(372)172(99-134(6)7)300-229(368)164(81-88-198(270)341)293-238(377)179(107-151-65-73-157(337)74-66-151)305-235(374)173(100-135(8)9)304-250(389)189(123-333)315-253(392)195-129-412-411-128-194(318-232(371)166(83-90-200(272)343)292-228(367)169(87-94-212(358)359)297-258(397)216(142(22)23)327-262(401)217(143(24)30-2)323-205(348)116-268)254(393)320-196(255(394)329-219(146(27)335)263(402)316-190(124-334)251(390)328-218(144(25)31-3)261(400)322-195)130-413-408-125-191(317-236(375)174(101-136(10)11)301-242(381)183(111-155-117-278-131-285-155)310-230(369)165(82-89-199(271)342)294-244(383)186(114-202(274)345)313-259(398)213(139(16)17)324-222(361)161(269)104-148-55-44-41-45-56-148)224(363)284-121-208(351)290-188(122-332)249(388)311-184(112-156-118-279-132-286-156)243(382)303-176(103-138(14)15)247(386)325-214(140(18)19)257(396)296-167(85-92-210(354)355)226(365)287-145(26)221(360)299-171(98-133(4)5)234(373)306-180(108-152-67-75-158(338)76-68-152)239(378)302-175(102-137(12)13)246(385)326-215(141(20)21)260(399)321-192/h41-49,55-60,65-80,117-118,131-147,161-197,213-220,332-340H,29-40,50-54,61-64,81-116,119-130,268-269H2,1-28H3,(H2,270,341)(H2,271,342)(H2,272,343)(H2,273,344)(H2,274,345)(H2,275,346)(H,278,285)(H,279,286)(H,280,347)(H,282,362)(H,283,364)(H,284,363)(H,287,365)(H,288,349)(H,289,350)(H,290,351)(H,291,366)(H,292,367)(H,293,377)(H,294,383)(H,295,372)(H,296,396)(H,297,397)(H,298,395)(H,299,360)(H,300,368)(H,301,381)(H,302,378)(H,303,382)(H,304,389)(H,305,374)(H,306,373)(H,307,376)(H,308,384)(H,309,379)(H,310,369)(H,311,388)(H,312,370)(H,313,398)(H,314,391)(H,315,392)(H,316,402)(H,317,375)(H,318,371)(H,319,380)(H,320,393)(H,321,399)(H,322,400)(H,323,348)(H,324,361)(H,325,386)(H,326,385)(H,327,401)(H,328,390)(H,329,394)(H,330,387)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,404,405)(H,406,407)(H4,276,277,281)/t143-,144-,145?,146+,147+,161-,162-,163-,164?,165-,166-,167?,168?,169-,170-,171?,172?,173?,174-,175?,176?,177-,178-,179?,180?,181?,182-,183-,184?,185?,186-,187-,188?,189?,190-,191?,192?,193?,194?,195-,196-,197-,213-,214?,215?,216-,217-,218-,219-,220-/m0/s1
C267H402N64O76S65916.821979999981100

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