methyl 6-(4-chlorophenyl)sulfanylhexanoate

Systemtic Name: methyl 6-(4-chlorophenyl)sulfanylhexanoate Openeye Name: methyl 6-(4-chlorophenyl)sulfanylhexanoate CAS Name: 6-[(4-chlorophenyl)thio]hexanoic acid methyl ester IUPAC Name: methyl 6-(4-chlorophenyl)sulfanylhexanoate Traditional Name: 6-[(4-chlorophenyl)thio]hexanoic acid methyl ester Formula: C13H17ClO2S MolecularWeight: 272.79088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

COC(=O)CCCCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H17ClO2S/c1-16-13(15)5-3-2-4-10-17-12-8-6-11(14)7-9-12/h6-9H,2-5,10H2,1H3