3-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-5-(trifluoromethyl)benzoic acid Openeye Name: 3-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-5-(trifluoromethyl)benzoic acid CAS Name: 3-(2,5-dimethoxy-4-methylphenyl)sulfonyl-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-(2,5-dimethoxy-4-methylphenyl)sulfonyl-5-(trifluoromethyl)benzoic acid Traditional Name: 3-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-5-(trifluoromethyl)benzoic acid Formula: C17H15F3O6S MolecularWeight: 404.35761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(=O)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1OC)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(=O)O)OC

InChI

InChI=1S/C17H15F3O6S/c1-9-4-14(26-3)15(8-13(9)25-2)27(23,24)12-6-10(16(21)22)5-11(7-12)17(18,19)20/h4-8H,1-3H3,(H,21,22)