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

Systemtic Name: 2-(2-ethylsulfonyl-1-phenyl-ethyl)pentanedioic acid Openeye Name: 2-(2-ethylsulfonyl-1-phenyl-ethyl)pentanedioic acid CAS Name: 2-(2-ethylsulfonyl-1-phenylethyl)pentanedioic acid IUPAC Name: 2-(2-ethylsulfonyl-1-phenylethyl)pentanedioic acid Traditional Name: 2-(2-esyl-1-phenyl-ethyl)glutaric acid Formula: C15H20O6S MolecularWeight: 328.3807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O6S/c1-2-22(20,21)10-13(11-6-4-3-5-7-11)12(15(18)19)8-9-14(16)17/h3-7,12-13H,2,8-10H2,1H3,(H,16,17)(H,18,19)