methyl 7-oxidanylidene-7-(6-oxidanylidene-2-phenylsulfanyl-cyclohexen-1-yl)heptanoate

Systemtic Name: methyl 7-oxidanylidene-7-(6-oxidanylidene-2-phenylsulfanyl-cyclohexen-1-yl)heptanoate Openeye Name: methyl 7-oxo-7-(6-oxo-2-phenylsulfanyl-cyclohexen-1-yl)heptanoate CAS Name: 7-oxo-7-[6-oxo-2-(phenylthio)-1-cyclohexenyl]heptanoic acid methyl ester IUPAC Name: methyl 7-oxo-7-(6-oxo-2-phenylsulfanylcyclohexen-1-yl)heptanoate Traditional Name: 7-keto-7-[6-keto-2-(phenylthio)cyclohexen-1-yl]enanthic acid methyl ester Formula: C20H24O4S MolecularWeight: 360.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC(=O)C1=C(CCCC1=O)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCC(=O)C1=C(CCCC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C20H24O4S/c1-24-19(23)14-7-3-6-11-16(21)20-17(22)12-8-13-18(20)25-15-9-4-2-5-10-15/h2,4-5,9-10H,3,6-8,11-14H2,1H3