2-(4-phenylbutyl)-2-sulfanyl-pentanedioic acid

Systemtic Name: 2-(4-phenylbutyl)-2-sulfanyl-pentanedioic acid Openeye Name: 2-(4-phenylbutyl)-2-sulfanyl-pentanedioic acid CAS Name: 2-mercapto-2-(4-phenylbutyl)pentanedioic acid IUPAC Name: 2-(4-phenylbutyl)-2-sulfanylpentanedioic acid Traditional Name: 2-mercapto-2-(4-phenylbutyl)glutaric acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O4S/c16-13(17)9-11-15(20,14(18)19)10-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,20H,4-5,8-11H2,(H,16,17)(H,18,19)