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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 6 results

Search term: C68H114N4O50 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24606136

50 of 50 defined stereocentres - 50/50 defined
InChI=1/C68H114N4O50/c1-15-33(84)43(94)48(99)63(106-15)104-14-28-55(39(90)29(59(103)107-28)69-16(2)80)116-60-30(70-17(3)81)40(91)54(26(12-79)112-60)119-66-51(102)56(120-68-58(47(98)37(88)23(9-76)111-68)122-62-32(72-19(5)83)42(93)53(25(11-78)114-62)118-65-50(101)45(96)35(86)21(7-74)109-65)38(89)27(115-66)13-105-67-57(46(97)36(87)22(8-75)110-67)121-61-31(71-18(4)82)41(92)52(24(10-77)113-61)117-64-49(100)44(95)34(85)20(6-73)108-64/h15,20-68,73-79,84-103H,6-14H2,1-5H3,(H,69,80)(H,70,81)(H,71,82)(H,72,83)/t15-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-,49+,50+,51-,52+,53+,54+,55+,56-,57-,58-,59+,60-,61-,62-,63+,64-,65-,66-,67-,68+/m0/s1
C68H114N4O501787.62963900
62846412

49 of 49 defined stereocentres - 49/49 defined
InChI=1/C68H114N4O50/c1-16-34(86)44(96)49(101)63(107-16)105-14-22(85)53(35(87)21(6-73)69-17(2)81)116-60-31(70-18(3)82)41(93)56(29(13-80)112-60)119-66-52(104)57(120-68-59(48(100)39(91)26(10-77)111-68)122-62-33(72-20(5)84)43(95)55(28(12-79)114-62)118-65-51(103)46(98)37(89)24(8-75)109-65)40(92)30(115-66)15-106-67-58(47(99)38(90)25(9-76)110-67)121-61-32(71-19(4)83)42(94)54(27(11-78)113-61)117-64-50(102)45(97)36(88)23(7-74)108-64/h6,16,21-68,74-80,85-104H,7-15H2,1-5H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)/t16-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50+,51+,52-,53+,54+,55+,56+,57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67+,68-/m0/s1
C68H114N4O501787.62963200
28533270

50 of 50 defined stereocentres - 50/50 defined
InChI=1/C68H114N4O50/c1-15-33(84)43(94)48(99)63(106-15)104-14-28-53(41(92)29(59(103)107-28)69-16(2)80)116-60-30(70-17(3)81)42(93)52(26(12-79)114-60)117-66-51(102)56(120-68-58(47(98)37(88)23(9-76)113-68)122-62-32(72-19(5)83)55(39(90)25(11-78)109-62)119-65-50(101)45(96)35(86)21(7-74)111-65)40(91)27(115-66)13-105-67-57(46(97)36(87)22(8-75)112-67)121-61-31(71-18(4)82)54(38(89)24(10-77)108-61)118-64-49(100)44(95)34(85)20(6-73)110-64/h15,20-68,73-79,84-103H,6-14H2,1-5H3,(H,69,80)(H,70,81)(H,71,82)(H,72,83)/t15-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-,49+,50+,51-,52+,53+,54+,55+,56-,57-,58-,59+,60-,61-,62-,63+,64-,65-,66-,67-,68+/m0/s1
C68H114N4O501787.62962300
28533394

50 of 50 defined stereocentres - 50/50 defined
InChI=1/C68H114N4O50/c1-15-33(85)42(94)47(99)63(105-15)119-55-32(72-19(5)84)62(113-27(13-80)54(55)118-65-49(101)44(96)35(87)21(7-74)108-65)121-57-45(97)36(88)22(8-75)109-67(57)104-14-28-38(90)56(50(102)66(114-28)117-53-26(12-79)111-60(30(40(53)92)70-17(3)82)115-51-24(10-77)106-59(103)29(39(51)91)69-16(2)81)120-68-58(46(98)37(89)23(9-76)110-68)122-61-31(71-18(4)83)41(93)52(25(11-78)112-61)116-64-48(100)43(95)34(86)20(6-73)107-64/h15,20-68,73-80,85-103H,6-14H2,1-5H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)/t15-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-,47-,48+,49+,50-,51+,52+,53+,54+,55+,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-,67-,68+/m0/s1
C68H114N4O501787.62962300
3435995

0 of 49 defined stereocentres - 0/49 defined
InChI=1/C68H114N4O50/c1-16-34(86)44(96)49(101)63(107-16)105-14-22(85)53(35(87)21(6-73)69-17(2)81)116-60-31(70-18(3)82)41(93)56(29(13-80)112-60)119-66-52(104)57(120-68-59(48(100)39(91)26(10-77)111-68)122-62-33(72-20(5)84)43(95)55(28(12-79)114-62)118-65-51(103)46(98)37(89)24(8-75)109-65)40(92)30(115-66)15-106-67-58(47(99)38(90)25(9-76)110-67)121-61-32(71-19(4)83)42(94)54(27(11-78)113-61)117-64-50(102)45(97)36(88)23(7-74)108-64/h6,16,21-68,74-80,85-104H,7-15H2,1-5H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)
C68H114N4O501787.629562100
114551386

49 of 49 defined stereocentres - 49/49 defined
InChI=1/C68H114N4O50/c1-16-34(86)44(96)49(101)63(107-16)105-14-22(85)53(35(87)21(6-73)69-17(2)81)116-60-31(70-18(3)82)41(93)56(29(13-80)112-60)119-66-52(104)57(120-68-59(48(100)39(91)26(10-77)111-68)122-62-33(72-20(5)84)43(95)55(28(12-79)114-62)118-65-51(103)46(98)37(89)24(8-75)109-65)40(92)30(115-66)15-106-67-58(47(99)38(90)25(9-76)110-67)121-61-32(71-19(4)83)42(94)54(27(11-78)113-61)117-64-50(102)45(97)36(88)23(7-74)108-64/h6,16,21-68,74-80,85-104H,7-15H2,1-5H3,(H,69,81)(H,70,82)(H,71,83)(H,72,84)/t16-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50+,51+,52-,53+,54+,55+,56+,57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67+,68-/m0/s1
C68H114N4O501787.62961100

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