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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
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Found 144 results

Search term: C36H58O9 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
418346

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1
C36H58O9634.8403353800
19981565

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1
C36H58O9634.8403262600
28424515

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19-,21-,22+,23-,24+,25-,26+,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1
C36H58O9634.8403252200
57620913

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24-,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1
C36H58O9634.8403161600
52083798

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H58O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h18-29,37-40H,9-17H2,1-8H3/t18-,19-,20-,21+,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1
C36H58O9634.8403141400
57620816

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H58O9/c1-20(9-8-13-32(2,3)43)21-12-14-35(7)30-24(44-31-29(42)28(41)27(40)25(18-37)45-31)17-23-22(10-11-26(39)33(23,4)5)36(30,19-38)16-15-34(21,35)6/h8,13,17,19-22,24-31,37,39-43H,9-12,14-16,18H2,1-7H3/b13-8+/t20-,21-,22-,24+,25-,26+,27-,28+,29-,30+,31-,34-,35+,36-/m1/s1
C36H58O9634.8403121000
58809750

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21-,22?,23-,24-,25+,26-,27+,28-,29+,33+,34-,35-,36-/m1/s1
C36H58O9634.840311900
23296199

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H58O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18-19,21-30,37-42H,9-17H2,1-7H3/t18-,19+,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1
C36H58O9634.840311900
112785

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33+,34+,35+,36-/m0/s1
C36H58O9634.840310900
10264421

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H58O9/c1-31(2)14-15-36(30(43)45-29-28(42)27(41)26(40)21(18-37)44-29)20(16-31)19-8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-34(23,6)35(19,7)17-25(36)39/h8,20-29,37-42H,9-18H2,1-7H3/t20-,21+,22-,23+,24-,25+,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1
C36H58O9634.8403101000
82827028

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H58O9/c1-19(2)14-21(44-32-30(43)29(42)28(41)26(17-37)45-32)15-20(3)22-10-11-35(7)31-25(39)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,18,20-23,25-32,37,39-43H,8-13,15,17H2,1-7H3/t20-,21?,22-,23-,25+,26-,27+,28-,29+,30-,31+,32-,34-,35+,36-/m1/s1
C36H58O9634.840310900
34221338

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H58O9/c1-31(2)14-16-36(30(43)45-29-27(41)26(40)25(39)20(18-37)44-29)17-15-34(6)19(24(36)28(31)42)8-9-22-33(5)12-11-23(38)32(3,4)21(33)10-13-35(22,34)7/h8,20-29,37-42H,9-18H2,1-7H3/t20-,21+,22-,23+,24-,25-,26+,27-,28+,29+,33+,34-,35-,36+/m1/s1
C36H58O9634.84039800
58807044

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21-,22?,23-,24+,25+,26-,27+,28-,29+,33+,34-,35-,36-/m1/s1
C36H58O9634.84037700
82827025

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H58O9/c1-20(9-8-13-32(2,3)45-31-29(43)28(42)27(41)25(18-37)44-31)21-12-14-35(7)30-24(39)17-23-22(10-11-26(40)33(23,4)5)36(30,19-38)16-15-34(21,35)6/h8,13,17,19-22,24-31,37,39-43H,9-12,14-16,18H2,1-7H3/b13-8+/t20-,21-,22-,24+,25-,26+,27-,28+,29-,30+,31+,34-,35+,36-/m1/s1
C36H58O9634.84037600
65047917

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H58O9/c1-20(9-8-14-31(2,3)42)21-12-15-34(7)23-13-16-36-24(35(23,30(41)45-36)18-17-33(21,34)6)10-11-25(32(36,4)5)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,13-14,16,20-30,37-42H,9-12,15,17-19H2,1-7H3/b14-8+/t20-,21-,22-,23+,24+,25+,26-,27+,28-,29+,30?,33-,34+,35+,36-/m1/s1
C36H58O9634.84036500
10245006

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22+,23+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1
C36H58O9634.840365000
23343354

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H58O9/c1-19(8-9-24(39)32(4,5)45-30-28(43)27(42)26(41)22(17-37)44-30)20-10-13-34(7)29-21(38)16-23-31(2,3)12-11-25(40)36(23)18-35(29,36)15-14-33(20,34)6/h11-12,19-24,26-30,37-39,41-43H,8-10,13-18H2,1-7H3/t19-,20-,21+,22-,23+,24+,26-,27+,28-,29+,30+,33-,34+,35+,36-/m1/s1
C36H58O9634.84036600
22913223

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C36H58O9/c1-20(9-8-13-32(2,3)43)21-12-14-35(7)30-24(44-31-29(42)28(41)27(40)25(18-37)45-31)17-23-22(10-11-26(39)33(23,4)5)36(30,19-38)16-15-34(21,35)6/h8,13,17,19-22,24-31,37,39-43H,9-12,14-16,18H2,1-7H3/b13-8+/t20-,21-,22?,24+,25-,26+,27-,28+,29-,30+,31-,34-,35+,36-/m1/s1
C36H58O9634.84036300
2341770

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C36H58O9/c1-31(2)13-15-36(30(42)43)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(33(4,19-38)23(32)9-12-35(24,34)6)45-29-28(41)27(40)26(39)22(18-37)44-29/h7,21-29,37-41H,8-19H2,1-6H3,(H,42,43)/t21-,22+,23?,24?,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1
C36H58O9634.8403199999985400
9160273

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C36H58O9/c1-19(9-13-25(38)33(4,5)43)20-15-16-34(6)24-12-10-21-22(36(24,8)26(39)17-35(20,34)7)11-14-27(32(21,2)3)45-31-30(42)29(41)28(40)23(18-37)44-31/h10,19-20,22-24,27-31,37,40-43H,9,11-18H2,1-8H3/t19-,20-,22-,23-,24+,27+,28-,29+,30-,31+,34+,35-,36+/m1/s1
C36H58O9634.84035400
12345

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