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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:
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Isotopically Labeled
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Found 33 results

Search term: C37H48N6O5S2 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
347980


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
C37H48N6O5S2720.9442139208334922
4898

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)
C37H48N6O5S2720.944218166400
449981

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(39-29)25(3)4)34(45)41-31(17-27-14-10-7-11-15-27)32(44)18-28(16-26-12-8-6-9-13-26)40-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,40,47)(H,41,45)(H,42,46)/t28-,31-,32-,33-/m0/s1
C37H48N6O5S2720.9442182000
28637841

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31+,32+,33+/m1/s1
C37H48N6O5S2720.9442181900
54917

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32?,33?/m0/s1
C37H48N6O5S2720.944283400
32702411

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32+,33-/m0/s1
C37H48N6O5S2720.94428900
436161

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(45)43(5)20-29-22-49-34(40-29)25(3)4)35(44)48-32(18-28(38)16-26-12-8-6-9-13-26)31(17-27-14-10-7-11-15-27)41-37(46)47-21-30-19-39-23-50-30/h6-15,19,22-25,28,31-33H,16-18,20-21,38H2,1-5H3,(H,41,46)(H,42,45)/t28-,31-,32-,33-/m0/s1
C37H48N6O5S2720.94427400
450005

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C37H48N6O5S2/c1-25(2)20-43(21-30-23-49-35(41-30)26(3)4)36(46)39-19-34(45)40-29(15-27-11-7-5-8-12-27)17-33(44)32(16-28-13-9-6-10-14-28)42-37(47)48-22-31-18-38-24-50-31/h5-14,18,23-26,29,32-33,44H,15-17,19-22H2,1-4H3,(H,39,46)(H,40,45)(H,42,47)/t29-,32-,33-/m0/s1
C37H48N6O5S2720.94426500
24539963

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31?,32+,33+/m1/s1
C37H48N6O5S2720.94425100
29785356

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)32-20-39-33(50-32)21-43(5)36(46)42-34(25(3)4)35(45)40-28(16-26-12-8-6-9-13-26)18-31(44)30(17-27-14-10-7-11-15-27)41-37(47)48-22-29-19-38-23-49-29/h6-15,19-20,23-25,28,30-31,34,44H,16-18,21-22H2,1-5H3,(H,40,45)(H,41,47)(H,42,46)
C37H48N6O5S2720.94425400
8570540

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33+/m0/s1
C37H48N6O5S2720.94425400
23227573

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33?/m0/s1
C37H48N6O5S2720.94425300
450011

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48N6O5S2/c1-5-43(17-16-29-23-49-35(41-29)25(2)3)36(46)39-26(4)34(45)40-30(18-27-12-8-6-9-13-27)20-33(44)32(19-28-14-10-7-11-15-28)42-37(47)48-22-31-21-38-24-50-31/h6-15,21,23-26,30,32-33,44H,5,16-20,22H2,1-4H3,(H,39,46)(H,40,45)(H,42,47)/t26-,30-,32-,33-/m0/s1
C37H48N6O5S2720.94424300
449995

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48N6O5S2/c1-5-16-43(21-30-23-49-35(41-30)25(2)3)36(46)39-26(4)34(45)40-29(17-27-12-8-6-9-13-27)19-33(44)32(18-28-14-10-7-11-15-28)42-37(47)48-22-31-20-38-24-50-31/h6-15,20,23-26,29,32-33,44H,5,16-19,21-22H2,1-4H3,(H,39,46)(H,40,45)(H,42,47)/t26-,29-,32-,33-/m0/s1
C37H48N6O5S2720.94424300
32701932

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31+,32-,33+/m1/s1
C37H48N6O5S2720.94423500
23227574

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(39-29)25(3)4)34(45)41-31(17-27-14-10-7-11-15-27)32(44)18-28(16-26-12-8-6-9-13-26)40-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,40,47)(H,41,45)(H,42,46)/t28-,31-,32-,33?/m0/s1
C37H48N6O5S2720.94422200
23227371

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C37H48N6O5S2/c1-5-16-43(21-30-23-49-35(41-30)25(2)3)36(46)39-26(4)34(45)40-29(17-27-12-8-6-9-13-27)19-33(44)32(18-28-14-10-7-11-15-28)42-37(47)48-22-31-20-38-24-50-31/h6-15,20,23-26,29,32-33,44H,5,16-19,21-22H2,1-4H3,(H,39,46)(H,40,45)(H,42,47)/t26?,29-,32-,33-/m0/s1
C37H48N6O5S2720.94422200
23227483

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C37H48N6O5S2/c1-5-43(17-16-29-23-49-35(41-29)25(2)3)36(46)39-26(4)34(45)40-30(18-27-12-8-6-9-13-27)20-33(44)32(19-28-14-10-7-11-15-28)42-37(47)48-22-31-21-38-24-50-31/h6-15,21,23-26,30,32-33,44H,5,16-20,22H2,1-4H3,(H,39,46)(H,40,45)(H,42,47)/t26?,30-,32-,33-/m0/s1
C37H48N6O5S2720.94422200
8029005

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31+,32+,33?/m0/s1
C37H48N6O5S2720.94422100
408753

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)21-29-20-39-35(50-29)25(3)4)34(45)40-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-22-30-19-38-23-49-30/h6-15,19-20,23-25,28,31-33,44H,16-18,21-22H2,1-5H3,(H,40,45)(H,41,47)(H,42,46)/t28-,31-,32-,33+/m0/s1
C37H48N6O5S2720.94422200
12

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