methyl 7-(4-chlorophenyl)sulfanylheptanoate

Systemtic Name: methyl 7-(4-chlorophenyl)sulfanylheptanoate Openeye Name: methyl 7-(4-chlorophenyl)sulfanylheptanoate CAS Name: 7-[(4-chlorophenyl)thio]heptanoic acid methyl ester IUPAC Name: methyl 7-(4-chlorophenyl)sulfanylheptanoate Traditional Name: 7-[(4-chlorophenyl)thio]enanthic acid methyl ester Formula: C14H19ClO2S MolecularWeight: 286.81746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

COC(=O)CCCCCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H19ClO2S/c1-17-14(16)6-4-2-3-5-11-18-13-9-7-12(15)8-10-13/h7-10H,2-6,11H2,1H3