5-(4-chlorophenyl)sulfanylpentanoate

Systemtic Name: 5-(4-chlorophenyl)sulfanylpentanoate Openeye Name: 5-(4-chlorophenyl)sulfanylpentanoate CAS Name: 5-[(4-chlorophenyl)thio]pentanoate IUPAC Name: 5-(4-chlorophenyl)sulfanylpentanoate Traditional Name: 5-[(4-chlorophenyl)thio]valerate Formula: C11H12ClO2S- MolecularWeight: 243.72978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCCC(=O)[O-])Cl

InChI

InChI=1S/C11H13ClO2S/c12-9-4-6-10(7-5-9)15-8-2-1-3-11(13)14/h4-7H,1-3,8H2,(H,13,14)/p-1