2-(1-phenylbutan-2-yl)-3-sulfanyl-pentanedioic acid

Systemtic Name: 2-(1-phenylbutan-2-yl)-3-sulfanyl-pentanedioic acid Openeye Name: 2-(1-benzylpropyl)-3-sulfanyl-pentanedioic acid CAS Name: 3-mercapto-2-(1-phenylbutan-2-yl)pentanedioic acid IUPAC Name: 2-(1-phenylbutan-2-yl)-3-sulfanylpentanedioic acid Traditional Name: 2-(1-benzylpropyl)-3-mercapto-glutaric acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C(C(CC(=O)O)S)C(=O)O

Isomeric SMILES

CCC(CC1=CC=CC=C1)C(C(CC(=O)O)S)C(=O)O

InChI

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