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

Systemtic Name: 2-(2-phenyl-1-sulfanyl-butyl)pentanedioic acid Openeye Name: 2-(2-phenyl-1-sulfanyl-butyl)pentanedioic acid CAS Name: 2-(1-mercapto-2-phenylbutyl)pentanedioic acid IUPAC Name: 2-(2-phenyl-1-sulfanylbutyl)pentanedioic acid Traditional Name: 2-(1-mercapto-2-phenyl-butyl)glutaric acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O4S/c1-2-11(10-6-4-3-5-7-10)14(20)12(15(18)19)8-9-13(16)17/h3-7,11-12,14,20H,2,8-9H2,1H3,(H,16,17)(H,18,19)