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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
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Isotopically Labeled
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Found 51 results

Search term: C33H42O12 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2340583

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1
C33H42O12630.6794393600
29767255

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26?,27-,28?,31+,32-,33+/m0/s1
C33H42O12630.67947500
35467014

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H42O12/c1-16(34)40-26-12-11-25-24-9-7-20-15-21(8-10-22(20)23(24)13-14-33(25,26)5)44-32-30(43-19(4)37)28(42-18(3)36)27(41-17(2)35)29(45-32)31(38)39-6/h8,10,15,23-30,32H,7,9,11-14H2,1-6H3/t23-,24-,25+,26-,27+,28+,29+,30-,32-,33+/m1/s1
C33H42O12630.67947500
26347074

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H42O12/c1-15(2)32(44-28(38)21-12-10-9-11-13-21)25(41-18(5)34)17(4)31(40)22-14-16(3)24(37)33(22)29(39)30(8,45-33)26(42-19(6)35)23(31)27(32)43-20(7)36/h9-13,16-17,22-27,29,37,39-40H,1,14H2,2-8H3/t16-,17+,22-,23-,24-,25-,26-,27+,29+,30-,31-,32-,33+/m0/s1
C33H42O12630.67944400
9379485

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H42O12/c1-16-21(37)14-32(30(5,6)45-19(4)36)24(16)25(44-29(39)20-11-9-8-10-12-20)27(43-18(3)35)31(7)23(42-17(2)34)13-22(38)33(40)15-41-28(32)26(31)33/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27-,28-,31+,32-,33-/m0/s1
C33H42O12630.67943200
23110015
InChI=1/C33H42O12/c1-30(2,3)26(36)42-21-13-18(14-22(43-27(37)31(4,5)6)24(21)45-29(39)33(10,11)12)25(35)41-16-19-15-20(34)23(17-40-19)44-28(38)32(7,8)9/h13-15,17H,16H2,1-12H3
C33H42O12630.67943300
26342396

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26?,27-,28-,31+,32-,33+/m0/s1
C33H42O12630.67943200
68899486

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m1/s1
C33H42O12630.67943100
95502776

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H42O12/c1-15(2)32(44-28(38)21-12-10-9-11-13-21)25(41-18(5)34)17(4)31(40)22-14-16(3)24(37)33(22)29(39)30(8,45-33)26(42-19(6)35)23(31)27(32)43-20(7)36/h9-13,16-17,22-27,29,37,39-40H,1,14H2,2-8H3/t16-,17+,22-,23-,24-,25-,26-,27+,29+,30+,31-,32-,33+/m0/s1
C33H42O12630.67943300
113608583

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27-,28-,31-,32-,33+/m0/s1
C33H42O12630.67943300
4479343

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-29(39)20-11-9-8-10-12-20)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)43-18(3)35/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26?,27-,28-,31+,32-,33-/m0/s1
C33H42O12630.67942200
4479438

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H42O12/c1-16-21(42-17(2)34)14-32(30(5,6)40)24(16)25(38)27(44-29(39)20-11-9-8-10-12-20)31(7)23(43-18(3)35)13-22(37)33(45-19(4)36)15-41-28(32)26(31)33/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27?,28-,31+,32-,33-/m0/s1
C33H42O12630.67942200
8162070

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H42O12/c1-16-21(42-17(2)34)14-32(30(5,6)40)24(16)25(38)27(44-29(39)20-11-9-8-10-12-20)31(7)23(43-18(3)35)13-22(37)33(45-19(4)36)15-41-28(32)26(31)33/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22+,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1
C33H42O12630.67942100
8207523

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H42O12/c1-16(2)25(37)44-27-31-19(9-11-29(6)21(31)14-23(36)43-24(29)18-10-12-41-15-18)30(7)20(13-22(35)40-8)28(4,5)26(42-17(3)34)32(27,38)33(30,39)45-31/h10,12,14-16,19-20,24,26-27,38-39H,9,11,13H2,1-8H3/t19-,20+,24+,26+,27+,29-,30-,31?,32+,33-/m1/s1
C33H42O12630.67942100
8230325

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H42O12/c1-15(2)24(36)44-27-29(4,5)22(21(25(37)40-8)42-16(3)34)31(7)18-9-11-30(6)19(33(18)28(45-33)32(27,39)26(31)38)13-20(35)43-23(30)17-10-12-41-14-17/h10,12,14-15,18-19,21-23,27-28,39H,9,11,13H2,1-8H3/t18-,19-,21-,22+,23+,27+,28-,30-,31-,32+,33-/m1/s1
C33H42O12630.67942100
9051195

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C33H42O12/c1-5-42-29(37)32(39)26(35)25(34)31(44-27(28(36)40-3)33(32,45-31)30(38)41-4)18-12-17-24(43-20-23-15-10-7-11-16-23)21(2)19-22-13-8-6-9-14-22/h6-11,13-16,21,24-27,34-35,39H,5,12,17-20H2,1-4H3/t21-,24-,25-,26-,27-,31+,32+,33-/m1/s1
C33H42O12630.67942100
9356274

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(44-19(4)36)31(7)22(42-17(2)34)13-23(43-18(3)35)33(15-41-28(32)26(31)33)45-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23-,25+,26?,27-,28-,31+,32-,33-/m0/s1
C33H42O12630.67942100
9368025

InChI=1/C33H42O12/c1-7-40-25(34)31(26(35)41-8-2)13-19-20(14-31)22-16-33(29(38)44-11-5,30(39)45-12-6)18-24(22)23-17-32(15-21(19)23,27(36)42-9-3)28(37)43-10-4/h7-18H2,1-6H3
C33H42O12630.67942200
123

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