2-(1-methylsulfonyl-3-phenyl-propan-2-yl)pentanedioic acid

Systemtic Name: 2-(1-methylsulfonyl-3-phenyl-propan-2-yl)pentanedioic acid Openeye Name: 2-(1-benzyl-2-methylsulfonyl-ethyl)pentanedioic acid CAS Name: 2-(1-methylsulfonyl-3-phenylpropan-2-yl)pentanedioic acid IUPAC Name: 2-(1-methylsulfonyl-3-phenylpropan-2-yl)pentanedioic acid Traditional Name: 2-(1-benzyl-2-mesyl-ethyl)glutaric acid Formula: C15H20O6S MolecularWeight: 328.3807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O6S/c1-22(20,21)10-12(9-11-5-3-2-4-6-11)13(15(18)19)7-8-14(16)17/h2-6,12-13H,7-10H2,1H3,(H,16,17)(H,18,19)