methyl 6-[4-(4-methylsulfanylphenyl)phenyl]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[4-(4-methylsulfanylphenyl)phenyl]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[4-(4-methylsulfanylphenyl)phenyl]-6-oxo-hexanoate CAS Name: 6-[4-[4-(methylthio)phenyl]phenyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[4-(4-methylsulfanylphenyl)phenyl]-6-oxohexanoate Traditional Name: 6-keto-6-[4-[4-(methylthio)phenyl]phenyl]hexanoic acid methyl ester Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)CCCCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H22O3S/c1-23-20(22)6-4-3-5-19(21)17-9-7-15(8-10-17)16-11-13-18(24-2)14-12-16/h7-14H,3-6H2,1-2H3