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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 14 results

Search term: C39H61NO5 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3466792

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C39H61NO5/c1-25(40-21-11-10-12-22-40)44-33(43)36(6)18-17-35(5)19-20-38(8)27(28(35)24-36)23-29(42)32-37(7)15-14-31(45-26(2)41)34(3,4)30(37)13-16-39(32,38)9/h23,25,28,30-32H,10-22,24H2,1-9H3
C39H61NO5623.9053399999978400
2596884

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3
C39H61NO5623.905371100
8304808
InChI=1/C39H61NO5/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32-25-23-26-33(43-27(2)3)36(32)37-34(38(41)44-28(4)5)30(8)40-31(9)35(37)39(42)45-29(6)7/h23,25-29H,10-22,24H2,1-9H3
C39H61NO5623.90532100
8569600

Double-bond stereo
InChI=1/C39H61NO5/c1-9-11-13-17-23-44-33-27-30(28-34(37(33)43)45-24-18-14-12-10-2)20-21-35(41)40-22-16-15-19-29-25-31(38(3,4)5)36(42)32(26-29)39(6,7)8/h20-21,25-28,42-43H,9-19,22-24H2,1-8H3,(H,40,41)/b21-20+
C39H61NO5623.90532100
8897919
InChI=1/C39H61NO5/c1-3-5-7-9-11-13-15-17-19-24-28-44-37(41)30-35-32-40(39(43)34-26-22-21-23-27-34)33-36(35)31-38(42)45-29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27,32-33H,3-20,24-25,28-31H2,1-2H3
C39H61NO5623.90532100
10044591

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30-,31-,32-,35-,36+,37-,38+,39-/m1/s1
C39H61NO5623.90532100
10044593

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30-,31+,32-,35-,36+,37-,38+,39-/m1/s1
C39H61NO5623.90532100
10044595

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30-,31-,32-,35-,36+,37+,38+,39-/m1/s1
C39H61NO5623.90532100
10044597

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30-,31+,32-,35-,36+,37+,38+,39-/m1/s1
C39H61NO5623.90532100
26334659

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C39H61NO5/c1-25(2)28-14-19-39(34(43)40-22-10-9-11-23-40)21-20-37(7)29(33(28)39)12-13-31-35(5)17-16-32(45-27(4)42)36(6,24-44-26(3)41)30(35)15-18-38(31,37)8/h28-33H,1,9-24H2,2-8H3/t28-,29+,30+,31+,32-,33+,35-,36-,37+,38+,39-/m0/s1
C39H61NO5623.90532200
34541284

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C39H61NO5/c1-23(2)25-14-19-39(40-32(42)24-10-11-24)21-20-37(8)26(31(25)39)12-13-28-36(7)17-16-29(45-30(41)22-34(3,4)33(43)44)35(5,6)27(36)15-18-38(28,37)9/h24-29,31H,1,10-22H2,2-9H3,(H,40,42)(H,43,44)/t25-,26+,27-,28+,29-,31+,36-,37+,38+,39-/m0/s1
C39H61NO5623.90531100
90658162

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C39H61NO5/c1-25(2)32-28(42)24-39(34(43)44-23-22-40-20-10-9-11-21-40)19-18-37(7)27(33(32)39)12-13-30-36(6)16-15-31(45-26(3)41)35(4,5)29(36)14-17-38(30,37)8/h25,27,29-31H,9-24H2,1-8H3/t27-,29+,30-,31+,36+,37-,38-,39-/m1/s1
C39H61NO5623.90531100
129185613

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)44-25-36(6)30-14-17-38(8)31(35(30,5)16-15-32(36)45-27(2)42)13-12-28-29-24-34(3,4)18-20-39(29,21-19-37(28,38)7)33(43)40-22-10-9-11-23-40/h12,29-32H,9-11,13-25H2,1-8H3/t29-,30+,31+,32-,35-,36-,37+,38+,39-/m0/s1
C39H61NO5623.90531100
5036870

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30+,31+,32+,35-,36-,37+,38+,39+/m1/s1
C39H61NO5623.90531100

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