2-(2-methylsulfonyl-1-phenyl-ethyl)pentanedioic acid

Systemtic Name: 2-(2-methylsulfonyl-1-phenyl-ethyl)pentanedioic acid Openeye Name: 2-(2-methylsulfonyl-1-phenyl-ethyl)pentanedioic acid CAS Name: 2-(2-methylsulfonyl-1-phenylethyl)pentanedioic acid IUPAC Name: 2-(2-methylsulfonyl-1-phenylethyl)pentanedioic acid Traditional Name: 2-(2-mesyl-1-phenyl-ethyl)glutaric acid Formula: C14H18O6S MolecularWeight: 314.35412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O6S/c1-21(19,20)9-12(10-5-3-2-4-6-10)11(14(17)18)7-8-13(15)16/h2-6,11-12H,7-9H2,1H3,(H,15,16)(H,17,18)