2-chloranyl-3-[4-cyclohexyl-3-methylsulfonyl-5-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 2-chloranyl-3-[4-cyclohexyl-3-methylsulfonyl-5-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 2-chloro-3-[4-cyclohexyl-3-methylsulfonyl-5-(trifluoromethyl)phenyl]propanoic acid CAS Name: 2-chloro-3-[4-cyclohexyl-3-methylsulfonyl-5-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 2-chloro-3-[4-cyclohexyl-3-methylsulfonyl-5-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 2-chloro-3-[4-cyclohexyl-3-mesyl-5-(trifluoromethyl)phenyl]propionic acid Formula: C17H20ClF3O4S MolecularWeight: 412.85151

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1C2CCCCC2)C(F)(F)F)CC(C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1C2CCCCC2)C(F)(F)F)CC(C(=O)O)Cl

InChI

InChI=1S/C17H20ClF3O4S/c1-26(24,25)14-9-10(8-13(18)16(22)23)7-12(17(19,20)21)15(14)11-5-3-2-4-6-11/h7,9,11,13H,2-6,8H2,1H3,(H,22,23)