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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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Found 49 results

Search term: C36H47N5O4 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4515036

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
C36H47N5O4613.789592141201224
3577

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)
C36H47N5O4613.789515149500
32699127

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29-,31+,32-,33+/m1/s1
C36H47N5O4613.7895111200
2288889

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H47N5O4/c1-8-11-12-32(45-31-18-15-24(35(4,5)9-2)19-26(31)36(6,7)10-3)33(43)40-28-21-30(42)29(20-27(28)38)41-34(44)39-25-16-13-23(22-37)14-17-25/h13-21,32,42H,8-12,38H2,1-7H3,(H,40,43)(H2,39,41,44)
C36H47N5O4613.78947999999881000
4312456
InChI=1/C36H47N5O4/c1-3-4-8-28-11-13-29(14-12-28)35(42)38-30-15-16-32(31(27-30)36(43)37-17-7-18-39-23-25-45-26-24-39)40-19-21-41(22-20-40)33-9-5-6-10-34(33)44-2/h5-6,9-16,27H,3-4,7-8,17-26H2,1-2H3,(H,37,43)(H,38,42)
C36H47N5O4613.7894799999985300
8479885

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H47N5O4/c1-5-6-7-8-9-10-11-12-13-17-24-41-39-35(38-40-41)33(29-22-20-28(21-23-29)27-18-15-14-16-19-27)36(42)37-34-31(44-3)25-30(43-2)26-32(34)45-4/h14-16,18-23,25-26,33H,5-13,17,24H2,1-4H3,(H,37,42)
C36H47N5O4613.78955400
12285037

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H47N5O4/c1-25(2)20-38-36(45)32-24-40(22-27-11-8-14-37-21-27)15-16-41(32)23-30(42)18-29(17-26-9-4-3-5-10-26)35(44)39-34-31-13-7-6-12-28(31)19-33(34)43/h3-14,21,25,29-30,32-34,42-43H,15-20,22-24H2,1-2H3,(H,38,45)(H,39,44)/t29-,30+,32+,33-,34+/m1/s1
C36H47N5O4613.78954300
17574895

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C36H47N5O4/c1-25(2)20-38-36(45)32-24-40(22-27-11-8-14-37-21-27)15-16-41(32)23-30(42)18-29(17-26-9-4-3-5-10-26)35(44)39-34-31-13-7-6-12-28(31)19-33(34)43/h3-14,21,25,29-30,32-34,42-43H,15-20,22-24H2,1-2H3,(H,38,45)(H,39,44)/t29-,30+,32?,33-,34+/m1/s1
C36H47N5O4613.78954400
71350401

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H47N5O4/c1-26(2)21-33(42)40-20-12-19-39(24-28-13-6-4-7-14-28)18-11-10-17-37-35(44)32-22-30(40)25-41(32)34(43)23-31-27(3)45-36(38-31)29-15-8-5-9-16-29/h4-9,13-16,26,30,32H,10-12,17-25H2,1-3H3,(H,37,44)/t30-,32-/m0/s1
C36H47N5O4613.78954400
58994997

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31-,32-,33+/m1/s1
C36H47N5O4613.78953300
23199495

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-13-15-37-16-14-26)17-18-41(31)23-29(42)20-28(19-25-9-5-4-6-10-25)34(44)38-33-30-12-8-7-11-27(30)21-32(33)43/h4-16,28-29,31-33,42-43H,17-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33?/m1/s1
C36H47N5O4613.78953200
23264085

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C36H47N5O4/c1-24-18-29(42)19-25(2)30(24)22-32(38)36(45)41-23-28-15-9-8-14-27(28)21-33(41)35(44)40-17-11-4-3-10-16-39-34(43)31(37)20-26-12-6-5-7-13-26/h5-9,12-15,18-19,31-33,42H,3-4,10-11,16-17,20-23,37-38H2,1-2H3,(H,39,43)(H,40,44)/t31-,32-,33?/m0/s1
C36H47N5O4613.78953300
28655593

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C36H47N5O4/c1-2-36-29(35(45)40-20-18-39(19-21-40)33(43)25-12-13-25)22-26(23-31(42)37-16-14-24-8-4-3-5-9-24)34(44)41(36)17-15-28-27-10-6-7-11-30(27)38-32(28)36/h6-8,10-11,25-26,29,38H,2-5,9,12-23H2,1H3,(H,37,42)/t26?,29-,36+/m1/s1
C36H47N5O4613.78953200
2298418

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28?,29-,31-,32+,33-/m0/s1
C36H47N5O4613.7894799999983100
4586375

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-13-15-37-16-14-26)17-18-41(31)23-29(42)20-28(19-25-9-5-4-6-10-25)34(44)38-33-30-12-8-7-11-27(30)21-32(33)43/h4-16,28-29,31-33,42-43H,17-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
C36H47N5O4613.78953200
5167294
InChI=1/C36H47N5O4/c1-7-41-32-11-9-8-10-30(32)31-24-28(14-17-33(31)41)26-40(35(43)45-36(2,3)4)22-23-44-34(42)39-20-18-38(19-21-39)25-27-12-15-29(16-13-27)37(5)6/h8-17,24H,7,18-23,25-26H2,1-6H3
C36H47N5O4613.78953200
8006136

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33?/m1/s1
C36H47N5O4613.78953200
2521762

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C36H47N5O4/c1-24(2)28-11-8-12-29(25(3)4)34(28)39-36(43)38-26-15-16-31(30(22-26)35(42)37-23-27-10-9-21-45-27)40-17-19-41(20-18-40)32-13-6-7-14-33(32)44-5/h6-8,11-16,22,24-25,27H,9-10,17-21,23H2,1-5H3,(H,37,42)(H2,38,39,43)
C36H47N5O4613.78952100
3226381
InChI=1/C36H47N5O4/c1-3-4-5-8-28-11-13-29(14-12-28)35(42)38-30-15-16-32(31(27-30)36(43)37-17-18-39-23-25-45-26-24-39)40-19-21-41(22-20-40)33-9-6-7-10-34(33)44-2/h6-7,9-16,27H,3-5,8,17-26H2,1-2H3,(H,37,43)(H,38,42)
C36H47N5O4613.78952100
3776859
InChI=1/C36H47N5O4/c1-36(2,3)28-12-10-27(11-13-28)34(42)38-29-14-15-31(30(26-29)35(43)37-16-7-17-39-22-24-45-25-23-39)40-18-20-41(21-19-40)32-8-5-6-9-33(32)44-4/h5-6,8-15,26H,7,16-25H2,1-4H3,(H,37,43)(H,38,42)
C36H47N5O4613.7894799999982100
123

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