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 3 results

Search term: RCHHVVGSTHAVPF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17293212

52 of 52 defined stereocentres - 52/52 defined
InChI=1/C258H384N64O78S6/c1-29-132(23)206(313-193(338)105-260)253(394)317-205(131(21)22)250(391)289-160(75-83-200(348)349)219(360)283-157(71-79-190(264)335)223(364)308-184-117-404-405-118-185-244(385)305-179(112-324)241(382)295-164(90-124(7)8)227(368)296-170(97-141-53-61-147(329)62-54-141)230(371)284-156(70-78-189(263)334)220(361)291-163(89-123(5)6)225(366)285-159(74-82-199(346)347)222(363)303-176(103-191(265)336)236(377)299-172(99-143-57-65-149(331)66-58-143)233(374)309-183(243(384)304-177(256(397)398)104-192(266)337)116-403-402-115-182(215(356)273-108-194(339)278-154(72-80-197(342)343)218(359)281-152(51-42-86-271-258(267)268)213(354)272-109-195(340)279-168(95-139-46-36-32-37-47-139)229(370)298-169(96-140-48-38-33-39-49-140)232(373)300-173(100-144-59-67-150(332)68-60-144)239(380)320-209(136(27)327)255(396)322-87-43-52-187(322)247(388)286-161(76-84-201(350)351)224(365)321-210(137(28)328)257(399)400)311-251(392)204(130(19)20)316-237(378)166(92-126(11)12)293-231(372)171(98-142-55-63-148(330)64-56-142)297-226(367)162(88-122(3)4)290-211(352)134(25)277-216(357)158(73-81-198(344)345)288-249(390)203(129(17)18)315-238(379)167(93-127(13)14)294-235(376)175(102-146-107-270-121-276-146)302-240(381)178(111-323)280-196(341)110-274-214(355)181(114-401-406-119-186(310-245(184)386)246(387)319-208(135(26)326)254(395)306-180(113-325)242(383)318-207(133(24)30-2)252(393)312-185)307-228(369)165(91-125(9)10)292-234(375)174(101-145-106-269-120-275-145)301-221(362)155(69-77-188(262)333)282-217(358)153(50-40-41-85-259)287-248(389)202(128(15)16)314-212(353)151(261)94-138-44-34-31-35-45-138/h31-39,44-49,53-68,106-107,120-137,151-187,202-210,323-332H,29-30,40-43,50-52,69-105,108-119,259-261H2,1-28H3,(H2,262,333)(H2,263,334)(H2,264,335)(H2,265,336)(H2,266,337)(H,269,275)(H,270,276)(H,272,354)(H,273,356)(H,274,355)(H,277,357)(H,278,339)(H,279,340)(H,280,341)(H,281,359)(H,282,358)(H,283,360)(H,284,371)(H,285,366)(H,286,388)(H,287,389)(H,288,390)(H,289,391)(H,290,352)(H,291,361)(H,292,375)(H,293,372)(H,294,376)(H,295,382)(H,296,368)(H,297,367)(H,298,370)(H,299,377)(H,300,373)(H,301,362)(H,302,381)(H,303,363)(H,304,384)(H,305,385)(H,306,395)(H,307,369)(H,308,364)(H,309,374)(H,310,386)(H,311,392)(H,312,393)(H,313,338)(H,314,353)(H,315,379)(H,316,378)(H,317,394)(H,318,383)(H,319,387)(H,320,380)(H,321,365)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,397,398)(H,399,400)(H4,267,268,271)/t132-,133-,134-,135+,136+,137+,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,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-,202-,203-,204-,205-,206-,207-,208-,209-,210-/m0/s1
C258H384N64O78S65822.5815600001142200
57643447

50 of 52 defined stereocentres - 50/52 defined
InChI=1/C258H384N64O78S6/c1-29-132(23)206(313-193(338)105-260)253(394)317-205(131(21)22)250(391)289-160(75-83-200(348)349)219(360)283-157(71-79-190(264)335)223(364)308-184-117-404-405-118-185-244(385)305-179(112-324)241(382)295-164(90-124(7)8)227(368)296-170(97-141-53-61-147(329)62-54-141)230(371)284-156(70-78-189(263)334)220(361)291-163(89-123(5)6)225(366)285-159(74-82-199(346)347)222(363)303-176(103-191(265)336)236(377)299-172(99-143-57-65-149(331)66-58-143)233(374)309-183(243(384)304-177(256(397)398)104-192(266)337)116-403-402-115-182(215(356)273-108-194(339)278-154(72-80-197(342)343)218(359)281-152(51-42-86-271-258(267)268)213(354)272-109-195(340)279-168(95-139-46-36-32-37-47-139)229(370)298-169(96-140-48-38-33-39-49-140)232(373)300-173(100-144-59-67-150(332)68-60-144)239(380)320-209(136(27)327)255(396)322-87-43-52-187(322)247(388)286-161(76-84-201(350)351)224(365)321-210(137(28)328)257(399)400)311-251(392)204(130(19)20)316-237(378)166(92-126(11)12)293-231(372)171(98-142-55-63-148(330)64-56-142)297-226(367)162(88-122(3)4)290-211(352)134(25)277-216(357)158(73-81-198(344)345)288-249(390)203(129(17)18)315-238(379)167(93-127(13)14)294-235(376)175(102-146-107-270-121-276-146)302-240(381)178(111-323)280-196(341)110-274-214(355)181(114-401-406-119-186(310-245(184)386)246(387)319-208(135(26)326)254(395)306-180(113-325)242(383)318-207(133(24)30-2)252(393)312-185)307-228(369)165(91-125(9)10)292-234(375)174(101-145-106-269-120-275-145)301-221(362)155(69-77-188(262)333)282-217(358)153(50-40-41-85-259)287-248(389)202(128(15)16)314-212(353)151(261)94-138-44-34-31-35-45-138/h31-39,44-49,53-68,106-107,120-137,151-187,202-210,323-332H,29-30,40-43,50-52,69-105,108-119,259-261H2,1-28H3,(H2,262,333)(H2,263,334)(H2,264,335)(H2,265,336)(H2,266,337)(H,269,275)(H,270,276)(H,272,354)(H,273,356)(H,274,355)(H,277,357)(H,278,339)(H,279,340)(H,280,341)(H,281,359)(H,282,358)(H,283,360)(H,284,371)(H,285,366)(H,286,388)(H,287,389)(H,288,390)(H,289,391)(H,290,352)(H,291,361)(H,292,375)(H,293,372)(H,294,376)(H,295,382)(H,296,368)(H,297,367)(H,298,370)(H,299,377)(H,300,373)(H,301,362)(H,302,381)(H,303,363)(H,304,384)(H,305,385)(H,306,395)(H,307,369)(H,308,364)(H,309,374)(H,310,386)(H,311,392)(H,312,393)(H,313,338)(H,314,353)(H,315,379)(H,316,378)(H,317,394)(H,318,383)(H,319,387)(H,320,380)(H,321,365)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,397,398)(H,399,400)(H4,267,268,271)/t132-,133-,134-,135+,136+,137+,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,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-,202-,203-,204-,205-,206-,207?,208?,209-,210-/m0/s1
C258H384N64O78S65822.581559999991100
129306936

40 of 52 defined stereocentres - 40/52 defined
InChI=1/C258H384N64O78S6/c1-29-132(23)206(313-193(338)105-260)253(394)317-205(131(21)22)250(391)289-160(75-83-200(348)349)219(360)283-157(71-79-190(264)335)223(364)308-184-117-404-405-118-185-244(385)305-179(112-324)241(382)295-164(90-124(7)8)227(368)296-170(97-141-53-61-147(329)62-54-141)230(371)284-156(70-78-189(263)334)220(361)291-163(89-123(5)6)225(366)285-159(74-82-199(346)347)222(363)303-176(103-191(265)336)236(377)299-172(99-143-57-65-149(331)66-58-143)233(374)309-183(243(384)304-177(256(397)398)104-192(266)337)116-403-402-115-182(215(356)273-108-194(339)278-154(72-80-197(342)343)218(359)281-152(51-42-86-271-258(267)268)213(354)272-109-195(340)279-168(95-139-46-36-32-37-47-139)229(370)298-169(96-140-48-38-33-39-49-140)232(373)300-173(100-144-59-67-150(332)68-60-144)239(380)320-209(136(27)327)255(396)322-87-43-52-187(322)247(388)286-161(76-84-201(350)351)224(365)321-210(137(28)328)257(399)400)311-251(392)204(130(19)20)316-237(378)166(92-126(11)12)293-231(372)171(98-142-55-63-148(330)64-56-142)297-226(367)162(88-122(3)4)290-211(352)134(25)277-216(357)158(73-81-198(344)345)288-249(390)203(129(17)18)315-238(379)167(93-127(13)14)294-235(376)175(102-146-107-270-121-276-146)302-240(381)178(111-323)280-196(341)110-274-214(355)181(114-401-406-119-186(310-245(184)386)246(387)319-208(135(26)326)254(395)306-180(113-325)242(383)318-207(133(24)30-2)252(393)312-185)307-228(369)165(91-125(9)10)292-234(375)174(101-145-106-269-120-275-145)301-221(362)155(69-77-188(262)333)282-217(358)153(50-40-41-85-259)287-248(389)202(128(15)16)314-212(353)151(261)94-138-44-34-31-35-45-138/h31-39,44-49,53-68,106-107,120-137,151-187,202-210,323-332H,29-30,40-43,50-52,69-105,108-119,259-261H2,1-28H3,(H2,262,333)(H2,263,334)(H2,264,335)(H2,265,336)(H2,266,337)(H,269,275)(H,270,276)(H,272,354)(H,273,356)(H,274,355)(H,277,357)(H,278,339)(H,279,340)(H,280,341)(H,281,359)(H,282,358)(H,283,360)(H,284,371)(H,285,366)(H,286,388)(H,287,389)(H,288,390)(H,289,391)(H,290,352)(H,291,361)(H,292,375)(H,293,372)(H,294,376)(H,295,382)(H,296,368)(H,297,367)(H,298,370)(H,299,377)(H,300,373)(H,301,362)(H,302,381)(H,303,363)(H,304,384)(H,305,385)(H,306,395)(H,307,369)(H,308,364)(H,309,374)(H,310,386)(H,311,392)(H,312,393)(H,313,338)(H,314,353)(H,315,379)(H,316,378)(H,317,394)(H,318,383)(H,319,387)(H,320,380)(H,321,365)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,397,398)(H,399,400)(H4,267,268,271)/t132-,133-,134?,135+,136+,137+,151-,152-,153-,154-,155-,156?,157-,158?,159?,160-,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-,202-,203?,204?,205-,206-,207-,208-,209-,210-/m0/s1
C258H384N64O78S65822.581559999981100

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