3-cyclopentyl-2-(4-methylsulfonyl-3-nitro-phenyl)propanoic acid

Systemtic Name: 3-cyclopentyl-2-(4-methylsulfonyl-3-nitro-phenyl)propanoic acid Openeye Name: 3-cyclopentyl-2-(4-methylsulfonyl-3-nitro-phenyl)propanoic acid CAS Name: 3-cyclopentyl-2-(4-methylsulfonyl-3-nitrophenyl)propanoic acid IUPAC Name: 3-cyclopentyl-2-(4-methylsulfonyl-3-nitrophenyl)propanoic acid Traditional Name: 3-cyclopentyl-2-(4-mesyl-3-nitro-phenyl)propionic acid Formula: C15H19NO6S MolecularWeight: 341.37946

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H19NO6S/c1-23(21,22)14-7-6-11(9-13(14)16(19)20)12(15(17)18)8-10-4-2-3-5-10/h6-7,9-10,12H,2-5,8H2,1H3,(H,17,18)