2-[2-(2-sulfanylphenyl)ethyl]pentanedioic acid

Systemtic Name: 2-[2-(2-sulfanylphenyl)ethyl]pentanedioic acid Openeye Name: 2-[2-(2-sulfanylphenyl)ethyl]pentanedioic acid CAS Name: 2-[2-(2-mercaptophenyl)ethyl]pentanedioic acid IUPAC Name: 2-[2-(2-sulfanylphenyl)ethyl]pentanedioic acid Traditional Name: 2-[2-(2-mercaptophenyl)ethyl]glutaric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(CCC(=O)O)C(=O)O)S

Isomeric SMILES

C1=CC=C(C(=C1)CCC(CCC(=O)O)C(=O)O)S

InChI

InChI=1S/C13H16O4S/c14-12(15)8-7-10(13(16)17)6-5-9-3-1-2-4-11(9)18/h1-4,10,18H,5-8H2,(H,14,15)(H,16,17)