2-[3-(2-chlorophenyl)sulfanylphenyl]pentanoic acid

Systemtic Name: 2-[3-(2-chlorophenyl)sulfanylphenyl]pentanoic acid Openeye Name: 2-[3-(2-chlorophenyl)sulfanylphenyl]pentanoic acid CAS Name: 2-[3-[(2-chlorophenyl)thio]phenyl]pentanoic acid IUPAC Name: 2-[3-(2-chlorophenyl)sulfanylphenyl]pentanoic acid Traditional Name: 2-[3-[(2-chlorophenyl)thio]phenyl]valeric acid Formula: C17H17ClO2S MolecularWeight: 320.83368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)SC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CCCC(C1=CC(=CC=C1)SC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C17H17ClO2S/c1-2-6-14(17(19)20)12-7-5-8-13(11-12)21-16-10-4-3-9-15(16)18/h3-5,7-11,14H,2,6H2,1H3,(H,19,20)