2-(3-phenyl-3-sulfanyl-propyl)pentanedioic acid

Systemtic Name: 2-(3-phenyl-3-sulfanyl-propyl)pentanedioic acid Openeye Name: 2-(3-phenyl-3-sulfanyl-propyl)pentanedioic acid CAS Name: 2-(3-mercapto-3-phenylpropyl)pentanedioic acid IUPAC Name: 2-(3-phenyl-3-sulfanylpropyl)pentanedioic acid Traditional Name: 2-(3-mercapto-3-phenyl-propyl)glutaric acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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