2-(4-chlorophenyl)sulfanylhexanoic acid

Systemtic Name: 2-(4-chlorophenyl)sulfanylhexanoic acid Openeye Name: 2-(4-chlorophenyl)sulfanylhexanoic acid CAS Name: 2-[(4-chlorophenyl)thio]hexanoic acid IUPAC Name: 2-(4-chlorophenyl)sulfanylhexanoic acid Traditional Name: 2-[(4-chlorophenyl)thio]hexanoic acid Formula: C12H15ClO2S MolecularWeight: 258.7643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCC(C(=O)O)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H15ClO2S/c1-2-3-4-11(12(14)15)16-10-7-5-9(13)6-8-10/h5-8,11H,2-4H2,1H3,(H,14,15)