methyl 3-oxidanylidene-4-[6-[2-(phenylmethyl)phenyl]hexylsulfanyl]butanoate

Systemtic Name: methyl 3-oxidanylidene-4-[6-[2-(phenylmethyl)phenyl]hexylsulfanyl]butanoate Openeye Name: methyl 4-[6-(2-benzylphenyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 3-oxo-4-[6-[2-(phenylmethyl)phenyl]hexylthio]butanoic acid methyl ester IUPAC Name: methyl 4-[6-(2-benzylphenyl)hexylsulfanyl]-3-oxobutanoate Traditional Name: 4-[6-(2-benzylphenyl)hexylthio]-3-keto-butyric acid methyl ester Formula: C24H30O3S MolecularWeight: 398.5582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCC1=CC=CC=C1CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCC1=CC=CC=C1CC2=CC=CC=C2

InChI

InChI=1S/C24H30O3S/c1-27-24(26)18-23(25)19-28-16-10-3-2-7-13-21-14-8-9-15-22(21)17-20-11-5-4-6-12-20/h4-6,8-9,11-12,14-15H,2-3,7,10,13,16-19H2,1H3