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:
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Isotopically Labeled
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Found 158 results

Search term: C33H36N4O5S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3296489

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-21-9-7-8-10-25(21)19-37(30(38)20-43-33-34-22(2)17-23(3)35-33)31(24-11-16-28(41-5)29(18-24)42-6)32(39)36-26-12-14-27(40-4)15-13-26/h7-18,31H,19-20H2,1-6H3,(H,36,39)
C33H36N4O5S600.727713900
3778786

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-21-7-9-24(10-8-21)19-37(30(38)20-43-33-34-22(2)17-23(3)35-33)31(25-11-13-26(40-4)14-12-25)32(39)36-28-16-15-27(41-5)18-29(28)42-6/h7-18,31H,19-20H2,1-6H3,(H,36,39)
C33H36N4O5S600.72773999999813900
4280835

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-21-9-7-8-10-25(21)19-37(30(38)20-43-33-34-22(2)17-23(3)35-33)31(24-11-13-26(40-4)14-12-24)32(39)36-28-16-15-27(41-5)18-29(28)42-6/h7-18,31H,19-20H2,1-6H3,(H,36,39)
C33H36N4O5S600.72773999999813900
2443790

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-40-25-16-12-21(13-17-25)29-28(34)31(43-36-29)33(39)37(24-10-7-11-27(20-24)42-3)30(22-14-18-26(41-2)19-15-22)32(38)35-23-8-5-4-6-9-23/h7,10-20,23,30H,4-6,8-9,34H2,1-3H3,(H,35,38)
C33H36N4O5S600.727712600
2443823

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-40-25-14-8-21(9-15-25)20-37(33(39)31-28(34)29(36-43-31)22-10-16-26(41-2)17-11-22)30(23-12-18-27(42-3)19-13-23)32(38)35-24-6-4-5-7-24/h8-19,24,30H,4-7,20,34H2,1-3H3,(H,35,38)
C33H36N4O5S600.727712600
2443855

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-4-42-27-19-13-24(14-20-27)37(33(39)31-28(34)29(36-43-31)21-9-15-25(40-2)16-10-21)30(22-11-17-26(41-3)18-12-22)32(38)35-23-7-5-6-8-23/h9-20,23,30H,4-8,34H2,1-3H3,(H,35,38)
C33H36N4O5S600.727712600
17462281

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H36N4O5S/c1-34-30(39)33(31(40)35(2)32(34)43,21-36-17-24-14-25(19-36)26-10-7-11-29(38)37(26)18-24)16-23-12-13-27(28(15-23)41-3)42-20-22-8-5-4-6-9-22/h4-13,15,24-25H,14,16-21H2,1-3H3/t24-,25?/m1/s1
C33H36N4O5S600.72779700
21900273
InChI=1/C33H36N4O5S/c1-24-11-13-27(14-12-24)43(40,41)37-17-15-26(16-18-37)32(38)34-30-28-9-5-6-10-29(28)42-31(30)33(39)36-21-19-35(20-22-36)23-25-7-3-2-4-8-25/h2-14,26H,15-23H2,1H3,(H,34,38)
C33H36N4O5S600.72779700
22474787
InChI=1/C33H36N4O5S/c1-41-29-13-8-12-28(22-29)35-43(39,40)32-21-26(15-16-30(32)34-23-27-11-6-7-14-31(27)42-2)33(38)37-19-17-36(18-20-37)24-25-9-4-3-5-10-25/h3-16,21-22,34-35H,17-20,23-24H2,1-2H3
C33H36N4O5S600.72778700
22878998

Double-bond stereo
InChI=1/C33H36N4O5S/c38-31(34-28-17-21-36(22-18-28)32(39)26-7-3-1-4-8-26)16-13-25-11-14-30(15-12-25)43(41,42)35-29-19-23-37(24-20-29)33(40)27-9-5-2-6-10-27/h1-16,28-29,35H,17-24H2,(H,34,38)/b16-13+
C33H36N4O5S600.72778900
21545941

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-21-10-9-13-25(22(21)2)37-33-30(31(35-37)23-11-7-6-8-12-23)32(24-14-15-26(41-4)27(18-24)42-5)43-20-29(39)36(33)19-28(38)34-16-17-40-3/h6-15,18,32H,16-17,19-20H2,1-5H3,(H,34,38)
C33H36N4O5S600.72777600
21545956

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-21-10-9-13-26(22(21)2)37-33-30(31(35-37)23-11-7-6-8-12-23)32(25-18-24(41-4)14-15-27(25)42-5)43-20-29(39)36(33)19-28(38)34-16-17-40-3/h6-15,18,32H,16-17,19-20H2,1-5H3,(H,34,38)
C33H36N4O5S600.72777600
22623179

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H36N4O5S/c1-6-21(2)34-28(38)19-36-29(39)20-43-32(26-18-25(41-4)16-17-27(26)42-5)30-31(22-10-8-7-9-11-22)35-37(33(30)36)23-12-14-24(40-3)15-13-23/h7-18,21,32H,6,19-20H2,1-5H3,(H,34,38)
C33H36N4O5S600.72777600
22623327

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-21(2)18-34-28(38)19-36-29(39)20-43-32(26-17-25(41-4)15-16-27(26)42-5)30-31(22-9-7-6-8-10-22)35-37(33(30)36)23-11-13-24(40-3)14-12-23/h6-17,21,32H,18-20H2,1-5H3,(H,34,38)
C33H36N4O5S600.72777600
22794099

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-24(25-11-5-4-6-12-25)35-43(39,40)32-23-26(34-33(38)27-13-7-9-15-30(27)41-2)17-18-29(32)37-21-19-36(20-22-37)28-14-8-10-16-31(28)42-3/h4-18,23-24,35H,19-22H2,1-3H3,(H,34,38)
C33H36N4O5S600.72777600
22794144

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-24(25-8-5-4-6-9-25)35-43(39,40)32-23-27(34-33(38)26-10-7-11-30(22-26)42-3)12-17-31(32)37-20-18-36(19-21-37)28-13-15-29(41-2)16-14-28/h4-17,22-24,35H,18-21H2,1-3H3,(H,34,38)
C33H36N4O5S600.72777600
22794322

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-24(25-10-5-4-6-11-25)35-43(39,40)32-23-27(34-33(38)26-12-9-13-28(22-26)41-2)16-17-30(32)37-20-18-36(19-21-37)29-14-7-8-15-31(29)42-3/h4-17,22-24,35H,18-21H2,1-3H3,(H,34,38)
C33H36N4O5S600.72777600
22794362

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-25(26-9-5-3-6-10-26)35-43(39,40)32-23-27(34-33(38)24-42-30-11-7-4-8-12-30)13-18-31(32)37-21-19-36(20-22-37)28-14-16-29(41-2)17-15-28/h3-18,23,25,35H,19-22,24H2,1-2H3,(H,34,38)
C33H36N4O5S600.72777600
22794536

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-24(25-9-5-4-6-10-25)35-43(39,40)32-23-26(34-33(38)29-11-7-8-12-31(29)42-3)13-18-30(32)37-21-19-36(20-22-37)27-14-16-28(41-2)17-15-27/h4-18,23-24,35H,19-22H2,1-3H3,(H,34,38)
C33H36N4O5S600.72777600
22794688

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O5S/c1-25(26-11-5-3-6-12-26)35-43(39,40)32-23-27(34-33(38)24-42-28-13-7-4-8-14-28)17-18-30(32)37-21-19-36(20-22-37)29-15-9-10-16-31(29)41-2/h3-18,23,25,35H,19-22,24H2,1-2H3,(H,34,38)
C33H36N4O5S600.72777600
12345

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