4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]-5-mesyl-2-methyl-benzoic acid Formula: C17H12F6O4S MolecularWeight: 426.330199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C17H12F6O4S/c1-8-3-13(14(28(2,26)27)7-12(8)15(24)25)9-4-10(16(18,19)20)6-11(5-9)17(21,22)23/h3-7H,1-2H3,(H,24,25)