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

Systemtic Name: 2-(2-methylsulfanyl-3-phenyl-propyl)pentanedioic acid Openeye Name: 2-(2-methylsulfanyl-3-phenyl-propyl)pentanedioic acid CAS Name: 2-[2-(methylthio)-3-phenylpropyl]pentanedioic acid IUPAC Name: 2-(2-methylsulfanyl-3-phenylpropyl)pentanedioic acid Traditional Name: 2-[2-(methylthio)-3-phenyl-propyl]glutaric acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O4S/c1-20-13(9-11-5-3-2-4-6-11)10-12(15(18)19)7-8-14(16)17/h2-6,12-13H,7-10H2,1H3,(H,16,17)(H,18,19)