methyl 4-[6-(3-chlorophenyl)hexylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[6-(3-chlorophenyl)hexylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(3-chlorophenyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 4-[6-(3-chlorophenyl)hexylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[6-(3-chlorophenyl)hexylsulfanyl]-3-oxobutanoate Traditional Name: 4-[6-(3-chlorophenyl)hexylthio]-3-keto-butyric acid methyl ester Formula: C17H23ClO3S MolecularWeight: 342.88072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCC1=CC(=CC=C1)Cl

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C17H23ClO3S/c1-21-17(20)12-16(19)13-22-10-5-3-2-4-7-14-8-6-9-15(18)11-14/h6,8-9,11H,2-5,7,10,12-13H2,1H3