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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 26 results

Search term: C31H40O2 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445530

Double-bond stereo
InChI=1/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
C31H40O2444.648180278532514
3916

Double-bond stereo
InChI=1/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3
C31H40O2444.6481233400
3208851
InChI=1/C31H40O2/c1-4-5-6-7-8-9-10-11-12-13-26-33-30-22-20-28(21-23-30)15-14-27-16-18-29(19-17-27)24-25-31(2,3)32/h16-23,32H,4-13,26H2,1-3H3
C31H40O2444.6481141000
5050842

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H40O2/c1-3-5-6-7-23-8-10-24(11-9-23)25-12-14-26(15-13-25)29(32)33-31-20-19-30(18-4-2)21-28(31)17-16-27(30)22-31/h8-15,27-28H,3-7,16-22H2,1-2H3
C31H40O2444.648111800
2610943
InChI=1/C31H40O2/c32-26-18-7-5-3-1-2-4-6-8-19-27-33-31(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h9-17,20-25,32H,1-8,18-19,26-27H2
C31H40O2444.64816300
9103636

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H40O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-18,29,33H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,23-13+,24-14+,25-16+,26-18+/t29-/m1/s1
C31H40O2444.64813200
35801459

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H40O2/c32-31(33-28-20-14-6-4-2-1-3-5-7-15-21-28)27-22-23-29(25-16-10-8-11-17-25)30(24-27)26-18-12-9-13-19-26/h8-13,16-19,27-28H,1-7,14-15,20-24H2
C31H40O2444.64813400
58133405

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H40O2/c1-19-16-21(3)22(17-20(19)2)6-11-29(33)28-10-9-26-25-8-7-23-18-24(32)12-14-30(23,4)27(25)13-15-31(26,28)5/h7,16-17,24-28,32H,8-10,12-15,18H2,1-5H3/t24-,25-,26-,27-,28+,30-,31-/m0/s1
C31H40O2444.64812200
10632511

Double-bond stereo
InChI=1/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20-
C31H40O2444.64812100
13098310

Double-bond stereo
InChI=1/C31H40O2/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-17-26(5)18-11-19-27-22-30(32)28-20-6-7-21-29(28)31(27)33/h6-7,12,14,16,18,20-22H,8-11,13,15,17,19H2,1-5H3/b24-14+,25-16+,26-18+
C31H40O2444.64812200
18872302

Double-bond stereo
InChI=1/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14-,24-16-,25-20+
C31H40O2444.64812100
60488609

Double-bond stereo
InChI=1/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14u,24-16+,25-20u
C31H40O2444.64812300
9266671

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H40O2/c1-29(2,3)28(20-8-7-9-23(19-20)33-6)21-14-16-30(4)22(18-21)10-11-24-25-12-13-27(32)31(25,5)17-15-26(24)30/h7-9,14,16,18-19,24-26H,10-13,15,17H2,1-6H3/b28-21-/t24-,25-,26-,30-,31-/m0/s1
C31H40O2444.64812100
8022039

Double-bond stereo
InChI=1/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14-,24-16+,25-20-
C31H40O2444.64812100
8202080
InChI=1/C31H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-27-33-31-25-21-29(22-26-31)18-15-14-17-28-19-23-30(32-2)24-20-28/h19-26H,3-13,16,27H2,1-2H3
C31H40O2444.64812100
8726686

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C31H40O2/c1-28(2,3)24(18-21-12-8-7-9-13-21)26(32)33-27-30(6)17-16-25(29(30,4)5)31(27)19-22-14-10-11-15-23(22)20-31/h7-15,24-25,27H,16-20H2,1-6H3/t24?,25-,27-,30-/m0/s1
C31H40O2444.64812100
9403593
InChI=1/C31H40O2/c1-19-10-22(17-24-12-20(2)14-26(28(24)32)30(4,5)6)16-23(11-19)18-25-13-21(3)15-27(29(25)33)31(7,8)9/h10-16,32-33H,17-18H2,1-9H3
C31H40O2444.64811100
95498745

Double-bond stereo
InChI=1/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16u,25-20+
C31H40O2444.64811100
111085103

Double-bond stereo
InChI=1/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16-,25-20+
C31H40O2444.64811100
59718682

Double-bond stereo
InChI=1/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20u
C31H40O2444.64811100
12

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