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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 34 results

Search term: C31H44N2O5S (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
180996

InChI=1/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3
C31H44N2O5S556.7565911682520
8682405

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C31H44N2O5S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(19-17-23)39(6)38/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-,39?/m1/s1
C31H44N2O5S556.75655400
68152012

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H44N2O5S/c1-31(2)23-38-17-7-10-27-21-32(19-25-11-13-28(14-12-25)39(3,36)37)16-15-26(27)18-30(35)33(22-29(31)34)20-24-8-5-4-6-9-24/h4-6,8-9,11-14,26-27,29,34H,7,10,15-23H2,1-3H3/t26-,27-,29-/m0/s1
C31H44N2O5S556.75655500
8251953

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H44N2O5S/c1-30(2,3)23-16-21(17-24(28(23)35-8)31(4,5)6)29-33(27(34)19-39-29)13-9-12-32(7)14-15-36-22-10-11-25-26(18-22)38-20-37-25/h10-11,16-18,29H,9,12-15,19-20H2,1-8H3
C31H44N2O5S556.75654300
8944466

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H44N2O5S/c1-30(2,3)23-16-21(17-24(28(23)35)31(4,5)6)29-33(27(34)19-39-29)13-9-8-12-32(7)14-15-36-22-10-11-25-26(18-22)38-20-37-25/h10-11,16-18,29,35H,8-9,12-15,19-20H2,1-7H3
C31H44N2O5S556.75654300
8944467

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H44N2O5S/c1-30(2,3)23-16-21(17-24(28(23)35)31(4,5)6)29-33(27(34)19-39-29)14-8-12-32(7)13-9-15-36-22-10-11-25-26(18-22)38-20-37-25/h10-11,16-18,29,35H,8-9,12-15,19-20H2,1-7H3
C31H44N2O5S556.75654300
3662408

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H44N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-38-30-19-16-15-18-28(30)29-25-32-33(31(29)34)26-20-22-27(23-21-26)39(35,36)37/h15-16,18-23,25,29H,2-14,17,24H2,1H3,(H,35,36,37)
C31H44N2O5S556.7564599999984100
22840943

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H44N2O5S/c1-22(2)27-11-6-23(3)16-29(27)38-21-31(35)33-13-5-12-32(14-15-33)18-25-17-28(34)30(20-36-25)37-19-24-7-9-26(39-4)10-8-24/h7-10,17,20,22-23,27,29H,5-6,11-16,18-19,21H2,1-4H3/t23-,27+,29-/m1/s1
C31H44N2O5S556.75653200
23191981

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H44N2O5S/c1-8-32(14-15-36-22-10-11-25-26(18-22)38-20-37-25)12-9-13-33-27(34)19-39-29(33)21-16-23(30(2,3)4)28(35)24(17-21)31(5,6)7/h10-11,16-18,29,35H,8-9,12-15,19-20H2,1-7H3
C31H44N2O5S556.75652200
8026410

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H44N2O5S/c1-3-4-5-6-7-14-23-39(37,38)33-21-19-31(20-22-33,27-17-12-9-13-18-27)30(36)32-28(25(2)29(34)35)24-26-15-10-8-11-16-26/h8-13,15-18,25,28H,3-7,14,19-24H2,1-2H3,(H,32,36)(H,34,35)
C31H44N2O5S556.75652100
8160777

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H44N2O5S/c1-36-16-17-37-24-38-31-20-29(18-25-8-4-2-5-9-25)32(22-27-12-13-27)39(34,35)33(23-28-14-15-28)30(21-31)19-26-10-6-3-7-11-26/h2-11,27-31H,12-24H2,1H3/t29-,30-/m1/s1
C31H44N2O5S556.75652100
8393888
InChI=1/C31H44N2O5S/c1-8-37-29(34)20-28-32-25-13-9-10-14-27(25)39(35,36)33(28)17-11-12-18-38-26-16-15-23(21-30(2,3)4)19-24(26)22-31(5,6)7/h9-10,13-16,19H,8,11-12,17-18,20-22H2,1-7H3
C31H44N2O5S556.75652100
102800950
InChI=1/C31H44N2O5S/c1-3-5-7-9-11-16-20-29(34)33(30(35)21-17-12-10-8-6-4-2)27-22-24-28(25-23-27)39(37,38)32-31(36)26-18-14-13-15-19-26/h13-15,18-19,22-25H,3-12,16-17,20-21H2,1-2H3,(H,32,36)
C31H44N2O5S556.75651100
102802368
InChI=1/C31H44N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30(35)33(26(2)34)28-22-24-29(25-23-28)39(37,38)32-31(36)27-19-16-15-17-20-27/h15-17,19-20,22-25H,3-14,18,21H2,1-2H3,(H,32,36)
C31H44N2O5S556.75651100
122235710

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H44N2O5S/c1-7-8-9-10-16-38-24-13-11-22(12-14-24)29(34)32-26(15-17-39-6)30(35)33-20-23-18-27(36-4)28(37-5)19-25(23)31(2,3)21-33/h11-14,18-19,26H,7-10,15-17,20-21H2,1-6H3,(H,32,34)
C31H44N2O5S556.75651100
122267516

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H44N2O5S/c1-5-8-19-37-28-13-12-24(22-29(28)36-7-3)30(34)32-27(16-20-39-4)31(35)33-17-14-25(15-18-33)38-26-11-9-10-23(6-2)21-26/h9-13,21-22,25,27H,5-8,14-20H2,1-4H3,(H,32,34)
C31H44N2O5S556.75651100
26599388

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H44N2O5S/c1-22(2)18-26(29(34)32-28(30(35)38-7)21-25-16-12-9-13-17-25)19-23(3)27(20-24-14-10-8-11-15-24)33-39(36,37)31(4,5)6/h8-17,19,22,26-28,33H,18,20-21H2,1-7H3,(H,32,34)/b23-19+/t26-,27-,28-/m0/s1
C31H44N2O5S556.75651100
26605147

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H44N2O5S/c1-22(2)18-26(29(34)32-28(30(35)38-7)21-25-16-12-9-13-17-25)19-23(3)27(20-24-14-10-8-11-15-24)33-39(36,37)31(4,5)6/h8-17,19,22,26-28,33H,18,20-21H2,1-7H3,(H,32,34)/b23-19-/t26-,27+,28+/m1/s1
C31H44N2O5S556.75651100
12

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