3-cyclohexyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 3-cyclohexyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-cyclohexyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-cyclohexyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-cyclohexyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-cyclohexyl-2-[4-mesyl-3-(trifluoromethyl)phenyl]propionic acid Formula: C17H21F3O4S MolecularWeight: 378.40645

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCCC2)C(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCCC2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H21F3O4S/c1-25(23,24)15-8-7-12(10-14(15)17(18,19)20)13(16(21)22)9-11-5-3-2-4-6-11/h7-8,10-11,13H,2-6,9H2,1H3,(H,21,22)