methyl 4-phenyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-phenyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-thiophene-2-carboxylate Openeye Name: methyl 4-phenyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-thiophene-2-carboxylate CAS Name: 4-phenyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carboxylate Traditional Name: 4-phenyl-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-thiophene-2-carboxylic acid methyl ester Formula: C20H12F6O4S2 MolecularWeight: 494.427299

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(S1)C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C(=C(S1)C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H12F6O4S2/c1-30-18(27)15-16(32(28,29)13-9-7-12(8-10-13)19(21,22)23)14(11-5-3-2-4-6-11)17(31-15)20(24,25)26/h2-10H,1H3