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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 39 results

Search term: C38H52N6O7 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
130642

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
C38H52N6O7704.85551001117426
10619288

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)
C38H52N6O7704.85551228300
18925737

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30+,31+,32+/m0/s1
C38H52N6O7704.855511800
24599663

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30?,31?,32+/m0/s1
C38H52N6O7704.85557400
8138471

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32-/m0/s1
C38H52N6O7704.85556400
48058731

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31-,32-/m0/s1
C38H52N6O7704.85556400
48058760

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31-,32+/m0/s1
C38H52N6O7704.85555400
25027163

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31?,32+/m0/s1
C38H52N6O7704.85555500
71343208

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C38H52N6O7/c1-5-25(2)34-38(50)41-31(23-27-12-16-30(51-4)17-13-27)37(49)40-26(3)35(47)39-19-6-7-20-44(33(46)18-22-43-21-8-9-32(43)45)24-28-10-14-29(15-11-28)36(48)42-34/h10-17,25-26,31,34H,5-9,18-24H2,1-4H3,(H,39,47)(H,40,49)(H,41,50)(H,42,48)/t25-,26+,31-,34?/m0/s1
C38H52N6O7704.85554400
71343906

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C38H52N6O7/c1-24(2)32-35(48)40-25(3)33(46)41-30(22-26-12-7-6-8-13-26)36(49)44(4)23-31(45)39-21-11-14-29(34(47)43-32)42-37(50)38(19-9-10-20-38)27-15-17-28(51-5)18-16-27/h6-8,12-13,15-18,24-25,29-30,32H,9-11,14,19-23H2,1-5H3,(H,39,45)(H,40,48)(H,41,46)(H,42,50)(H,43,47)/t25-,29+,30+,32-/m1/s1
C38H52N6O7704.85554400
71348916

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H52N6O7/c1-24(2)20-30-35(48)40-25(3)38(51)44-23-28(45)22-32(44)37(50)39-19-11-17-29(41-33(46)18-10-16-26-12-6-4-7-13-26)34(47)43-31(36(49)42-30)21-27-14-8-5-9-15-27/h4-9,12-15,24-25,28-32,45H,10-11,16-23H2,1-3H3,(H,39,50)(H,40,48)(H,41,46)(H,42,49)(H,43,47)/t25-,28+,29-,30-,31+,32-/m0/s1
C38H52N6O7704.85554400
71349409

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H52N6O7/c1-23(2)19-29-33(47)40-24(3)36(50)44-22-27(45)21-31(44)35(49)39-18-12-17-28(43-37(51)38(4,5)26-15-10-7-11-16-26)32(46)42-30(34(48)41-29)20-25-13-8-6-9-14-25/h6-11,13-16,23-24,27-31,45H,12,17-22H2,1-5H3,(H,39,49)(H,40,47)(H,41,48)(H,42,46)(H,43,51)/t24-,27+,28-,29-,30+,31-/m0/s1
C38H52N6O7704.85554400
78315319

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30+,31-,32-/m1/s1
C38H52N6O7704.85554800
62731271

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C38H52N6O7/c1-25(2)20-32-37(49)43-36(26(3)45)38(50)40-16-6-7-18-44(35(48)15-14-28-23-41-31-13-5-4-12-30(28)31)19-9-17-39-34(47)24-51-29-11-8-10-27(21-29)22-33(46)42-32/h4-5,8,10-13,21,23,25-26,32,36,41,45H,6-7,9,14-20,22,24H2,1-3H3,(H,39,47)(H,40,50)(H,42,46)(H,43,49)/t26-,32-,36+/m1/s1
C38H52N6O7704.85554300
68025756

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29?,30-,31?,32+/m0/s1
C38H52N6O7704.85553700
26636606

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(43-35(48)50-7)33(46)41-27(20-24-12-10-9-11-13-24)22-30(45)28(42-34(47)32(38(4,5)6)44-36(49)51-8)21-25-14-16-26(17-15-25)29-23-39-18-19-40-29/h9-19,23,27-28,30-32,45H,20-22H2,1-8H3,(H,41,46)(H,42,47)(H,43,48)(H,44,49)/t27-,28-,30-,31+,32+/m0/s1
C38H52N6O7704.85553300
26636756

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(43-35(48)50-7)33(46)41-28(18-24-12-10-9-11-13-24)20-30(45)29(42-34(47)32(38(4,5)6)44-36(49)51-8)19-25-14-16-26(17-15-25)27-21-39-23-40-22-27/h9-17,21-23,28-32,45H,18-20H2,1-8H3,(H,41,46)(H,42,47)(H,43,48)(H,44,49)/t28-,29-,30-,31+,32+/m0/s1
C38H52N6O7704.85553300
58781255

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30+,31-,32-/m0/s1
C38H52N6O7704.85552200
68024416

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29?,30-,31?,32+/m1/s1
C38H52N6O7704.855523500
95897896

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29?,30-,31-,32-/m1/s1
C38H52N6O7704.85552200
12

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