methyl 7-(4,4-dimethyl-2-octylsulfanyl-6-oxidanylidene-cyclohexen-1-yl)-7-oxidanylidene-heptanoate

Systemtic Name: methyl 7-(4,4-dimethyl-2-octylsulfanyl-6-oxidanylidene-cyclohexen-1-yl)-7-oxidanylidene-heptanoate Openeye Name: methyl 7-(4,4-dimethyl-2-octylsulfanyl-6-oxo-cyclohexen-1-yl)-7-oxo-heptanoate CAS Name: 7-[4,4-dimethyl-2-(octylthio)-6-oxo-1-cyclohexenyl]-7-oxoheptanoic acid methyl ester IUPAC Name: methyl 7-(4,4-dimethyl-2-octylsulfanyl-6-oxocyclohexen-1-yl)-7-oxoheptanoate Traditional Name: 7-keto-7-[6-keto-4,4-dimethyl-2-(octylthio)cyclohexen-1-yl]enanthic acid methyl ester Formula: C24H40O4S MolecularWeight: 424.637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C(=O)CC(C1)(C)C)C(=O)CCCCCC(=O)OC

Isomeric SMILES

CCCCCCCCSC1=C(C(=O)CC(C1)(C)C)C(=O)CCCCCC(=O)OC

InChI

InChI=1S/C24H40O4S/c1-5-6-7-8-9-13-16-29-21-18-24(2,3)17-20(26)23(21)19(25)14-11-10-12-15-22(27)28-4/h5-18H2,1-4H3