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

Systemtic Name: 3-[2-(2-chloranyl-4-methylsulfonyl-phenyl)-4-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-chloro-4-methylsulfonyl-phenyl)-4-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-[2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-chloro-4-methylsulfonylphenyl)-4-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-[2-(2-chloro-4-mesyl-phenyl)-4-(trifluoromethyl)phenyl]propionic acid Formula: C17H14ClF3O4S MolecularWeight: 406.80387

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)CCC(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)CCC(=O)O)Cl

InChI

InChI=1S/C17H14ClF3O4S/c1-26(24,25)12-5-6-13(15(18)9-12)14-8-11(17(19,20)21)4-2-10(14)3-7-16(22)23/h2,4-6,8-9H,3,7H2,1H3,(H,22,23)