2-(2-phenyl-1-sulfanyl-ethyl)pentanedioic acid

Systemtic Name: 2-(2-phenyl-1-sulfanyl-ethyl)pentanedioic acid Openeye Name: 2-(2-phenyl-1-sulfanyl-ethyl)pentanedioic acid CAS Name: 2-(1-mercapto-2-phenylethyl)pentanedioic acid IUPAC Name: 2-(2-phenyl-1-sulfanylethyl)pentanedioic acid Traditional Name: 2-(1-mercapto-2-phenyl-ethyl)glutaric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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