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

Systemtic Name: 2-(2-phenyl-1-sulfanyl-propyl)pentanedioic acid Openeye Name: 2-(2-phenyl-1-sulfanyl-propyl)pentanedioic acid CAS Name: 2-(1-mercapto-2-phenylpropyl)pentanedioic acid IUPAC Name: 2-(2-phenyl-1-sulfanylpropyl)pentanedioic acid Traditional Name: 2-(1-mercapto-2-phenyl-propyl)glutaric acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-9(10-5-3-2-4-6-10)13(19)11(14(17)18)7-8-12(15)16/h2-6,9,11,13,19H,7-8H2,1H3,(H,15,16)(H,17,18)