2-(1-phenyl-3-sulfanyl-propan-2-yl)pentanedioic acid

Systemtic Name: 2-(1-phenyl-3-sulfanyl-propan-2-yl)pentanedioic acid Openeye Name: 2-(1-benzyl-2-sulfanyl-ethyl)pentanedioic acid CAS Name: 2-(1-mercapto-3-phenylpropan-2-yl)pentanedioic acid IUPAC Name: 2-(1-phenyl-3-sulfanylpropan-2-yl)pentanedioic acid Traditional Name: 2-(1-benzyl-2-mercapto-ethyl)glutaric acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c15-13(16)7-6-12(14(17)18)11(9-19)8-10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H,15,16)(H,17,18)