2-(4-phenyl-3-sulfanyl-butyl)pentanedioic acid

Systemtic Name: 2-(4-phenyl-3-sulfanyl-butyl)pentanedioic acid Openeye Name: 2-(4-phenyl-3-sulfanyl-butyl)pentanedioic acid CAS Name: 2-(3-mercapto-4-phenylbutyl)pentanedioic acid IUPAC Name: 2-(4-phenyl-3-sulfanylbutyl)pentanedioic acid Traditional Name: 2-(3-mercapto-4-phenyl-butyl)glutaric acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O4S/c16-14(17)9-7-12(15(18)19)6-8-13(20)10-11-4-2-1-3-5-11/h1-5,12-13,20H,6-10H2,(H,16,17)(H,18,19)