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

Systemtic Name: 2-(1-phenyl-2-propylsulfonyl-ethyl)pentanedioic acid Openeye Name: 2-(1-phenyl-2-propylsulfonyl-ethyl)pentanedioic acid CAS Name: 2-(1-phenyl-2-propylsulfonylethyl)pentanedioic acid IUPAC Name: 2-(1-phenyl-2-propylsulfonylethyl)pentanedioic acid Traditional Name: 2-(1-phenyl-2-propylsulfonyl-ethyl)glutaric acid Formula: C16H22O6S MolecularWeight: 342.40728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O6S/c1-2-10-23(21,22)11-14(12-6-4-3-5-7-12)13(16(19)20)8-9-15(17)18/h3-7,13-14H,2,8-11H2,1H3,(H,17,18)(H,19,20)