8-(4-chlorophenyl)sulfanyloctanoic acid

Systemtic Name: 8-(4-chlorophenyl)sulfanyloctanoic acid Openeye Name: 8-(4-chlorophenyl)sulfanyloctanoic acid CAS Name: 8-[(4-chlorophenyl)thio]octanoic acid IUPAC Name: 8-(4-chlorophenyl)sulfanyloctanoic acid Traditional Name: 8-[(4-chlorophenyl)thio]caprylic acid Formula: C14H19ClO2S MolecularWeight: 286.81746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCCCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCCCCCC(=O)O)Cl

InChI

InChI=1S/C14H19ClO2S/c15-12-7-9-13(10-8-12)18-11-5-3-1-2-4-6-14(16)17/h7-10H,1-6,11H2,(H,16,17)