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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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Single/Multi-component
Isotopically Labeled
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Found 30 results

Search term: C40H60O2 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4945481

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C40H60O2/c1-28(17-19-35-30(3)15-12-21-38(35,6)7)14-11-23-40(10)33(25-32(5)34(26-41)37(40)27-42)24-29(2)18-20-36-31(4)16-13-22-39(36,8)9/h11,14,17-20,23-25,33-34,37,41-42H,12-13,15-16,21-22,26-27H2,1-10H3/b19-17+,20-18+,23-11+,28-14+,29-24+/t33-,34+,37+,40+/m0/s1
C40H60O2572.9032171700
10228960

Double-bond stereo
InChI=1/C40H60O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-16,19-28,41-42H,17-18,29-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
C40H60O2572.9032111400
35014314

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,21-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+
C40H60O2572.90327700
17220973

Double-bond stereo
InChI=1/C40H60O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-15,17,19-25,27-29,41-42H,16,18,26,30-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,29-17+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
C40H60O2572.90326700
8048590

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20-/t33-,34-,35-,36-,37-,38-/m0/s1
C40H60O2572.90326510
35013049

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H60O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-28,39,41-42H,13,17,22,29-31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,34-20+,35-21+,36-25+,37-26+,38-28+
C40H60O2572.90325500
17220907

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,21-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
C40H60O2572.90324400
9159878

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,36-,37-,38-/m0/s1
C40H60O2572.90324300
8501219

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C40H60O2/c1-28(17-19-35-30(3)15-12-21-38(35,6)7)14-11-23-40(10)33(25-32(5)34(26-41)37(40)27-42)24-29(2)18-20-36-31(4)16-13-22-39(36,8)9/h11,14,17-20,23-25,33-34,37,41-42H,12-13,15-16,21-22,26-27H2,1-10H3/b19-17+,20-18+,23-11+,28-14+,29-24+
C40H60O2572.90323400
9016144

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20-/t33-,34-,35-,36-,37-,38+/m0/s1
C40H60O2572.90322100
9181508

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H60O2/c1-33(2)19-13-23-37(7)27-17-31-39(9,41)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10,42)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-20,25-32,41-42H,13-14,21-24H2,1-10H3/b12-11+,29-15+,30-16+,31-17+,32-18+,35-25+,36-26+,37-27+,38-28+
C40H60O2572.90322100
9236020

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H60O2/c1-29(19-23-35-31(3)17-13-27-39(35,7)8)21-25-37(41)33(5)15-11-12-16-34(6)38(42)26-22-30(2)20-24-36-32(4)18-14-28-40(36,9)10/h11-12,15-16,19-24,37-38,41-42H,13-14,17-18,25-28H2,1-10H3/b12-11+,23-19+,24-20+,29-21+,30-22+,33-15+,34-16+
C40H60O2572.90322100
9909225

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H60O2/c1-31(19-13-27-39(9,41)29-23-35-33(3)21-15-25-37(35,5)6)17-11-12-18-32(2)20-14-28-40(10,42)30-24-36-34(4)22-16-26-38(36,7)8/h11-14,19-20,23-24,27-30,41-42H,15-18,21-22,25-26H2,1-10H3/b12-11+,27-13+,28-14+,29-23+,30-24+,31-19+,32-20+
C40H60O2572.90322100
34981668

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,36-,37-,38-/m0/s1
C40H60O2572.90322200
10475628

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20-
C40H60O2572.90322200
10476138

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-35-34(6)39(7,8)27-26-38(35)42)15-11-12-16-30(2)18-14-20-32(4)22-24-36-33(5)37(41)25-28-40(36,9)10/h11-24,33-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20-/t33-,34-,35-,36-,37-,38+/m0/s1
C40H60O2572.90322200
61710527

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-13,15-17,19-20,22,24,35-36,41-42H,14,18,21,23,25-28H2,1-10H3/b12-11+,17-13+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1
C40H60O2572.90322200
61710538

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h13,15-17,19-24,35-36,41-42H,11-12,14,18,25-28H2,1-10H3/b17-13+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1
C40H60O2572.90322200
61711031

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H60O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-13,15-17,19-21,23,35-36,41-42H,14,18,22,24-28H2,1-10H3/b12-11+,17-13+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1
C40H60O2572.90322200
12

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