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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 16 results

Search term: C42H60O2 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4518330

Double-bond stereo
InChI=1/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
C42H60O2596.9246207300
8049093

Double-bond stereo
InChI=1/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,31-19-,32-20-,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
C42H60O2596.9246779228
4450231

Double-bond stereo
InChI=1/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
C42H60O2596.9245999999975500
59700052

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H60O2/c1-31(19-15-21-33(3)23-25-39-35(5)27-37(43-11)29-41(39,7)8)17-13-14-18-32(2)20-16-22-34(4)24-26-40-36(6)28-38(44-12)30-42(40,9)10/h13-26,37-38H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+
C42H60O2596.92464400
103708850

Double-bond stereo
InChI=1/C42H60O2/c1-33(2)15-9-17-35(5)18-11-19-36(6)20-12-21-37(7)22-13-23-38(8)24-14-25-39-27-41(30-42(28-39)32-44)29-40(31-43)26-10-16-34(3)4/h15-16,18,20,22,24,27-32H,9-14,17,19,21,23,25-26H2,1-8H3/b35-18+,36-20+,37-22+,38-24+,40-29+
C42H60O2596.92463300
148302

Double-bond stereo
InChI=1/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3
C42H60O2596.92463100
4534452

Double-bond stereo
InChI=1/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25-,38-26+,39-29+,40-30+
C42H60O2596.92463200
8874113
InChI=1/C42H60O2/c1-37(2,3)29-23-28(26-21-33(41(13,14)15)36(44)34(22-26)42(16,17)18)30(38(4,5)6)24-27(29)25-19-31(39(7,8)9)35(43)32(20-25)40(10,11)12/h19-24H,1-18H3
C42H60O2596.92462100
9540330

Double-bond stereo
InChI=1/C42H60O2/c1-32(20-15-22-34(3)25-27-38-36(5)24-17-29-40(38,7)8)18-13-14-19-33(2)21-16-23-35(4)26-28-39-37(6)42(43-11,44-12)31-30-41(39,9)10/h13-16,18-23,25-28H,17,24,29-31H2,1-12H3/b14-13+,20-15+,21-16+,27-25+,28-26+,32-18+,33-19-,34-22+,35-23+
C42H60O2596.92462100
9665109

Double-bond stereo
InChI=1/C42H60O2/c1-32(20-15-22-34(3)25-27-38-36(5)24-17-29-40(38,7)8)18-13-14-19-33(2)21-16-23-35(4)26-28-39-37(6)42(43-11,44-12)31-30-41(39,9)10/h13-16,18-23,25-28H,17,24,29-31H2,1-12H3/b14-13+,20-15+,21-16+,27-25+,28-26+,32-18+,33-19+,34-22+,35-23+
C42H60O2596.92462100
9665110

Double-bond stereo
InChI=1/C42H60O2/c1-32(20-15-22-34(3)25-27-38-36(5)24-17-29-40(38,7)8)18-13-14-19-33(2)21-16-23-35(4)26-28-39-37(6)42(43-11,44-12)31-30-41(39,9)10/h13-16,18-23,25-28H,17,24,29-31H2,1-12H3/b14-13+,20-15+,21-16+,27-25+,28-26+,32-18+,33-19+,34-22+,35-23-
C42H60O2596.92462100
59700147

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C42H60O2/c1-31(20-15-21-33(3)19-13-14-24-37-35(5)39(43)27-29-41(37,7)8)17-11-12-18-32(2)22-16-23-34(4)25-26-38-36(6)40(44)28-30-42(38,9)10/h11-26,35-39,43H,27-30H2,1-10H3/b12-11+,19-13+,20-15+,22-16+,24-14+,26-25+,31-17+,32-18+,33-21-,34-23-/t35-,36-,37-,38-,39-/m0/s1
C42H60O2596.92462200
64808474

Double-bond stereo
InChI=1/C42H60O2/c1-30(2)16-10-17-31(3)18-11-19-32(4)20-12-21-33(5)22-13-23-34(6)24-14-25-35(7)28-29-38-37(9)41(43)40-36(8)26-15-27-39(40)42(38)44/h15-16,18,20,22,24,26-28,43-44H,10-14,17,19,21,23,25,29H2,1-9H3/b31-18+,32-20+,33-22+,34-24+,35-28+
C42H60O2596.92462300
115295999

Double-bond stereo
InChI=1/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16u,27-17+,28-18u,31-19u,32-20u,35-21u,36-22u,37-25u,38-26+,39-29u,40-30+
C42H60O2596.92461100
120326490

Double-bond stereo
InChI=1/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16u,27-17+,28-18u,31-19u,32-20u,35-21u,36-22u,37-25u,38-26-,39-29u,40-30-
C42H60O2596.92461100

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