ethyl 5-ethoxy-4-(4-methylphenyl)sulfonyloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-ethoxy-4-(4-methylphenyl)sulfonyloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-ethoxy-4-(p-tolylsulfonyloxy)-2,6-bis(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-ethoxy-4-(4-methylphenyl)sulfonyloxy-2,6-bis(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethoxy-4-(4-methylphenyl)sulfonyloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-ethoxy-4-tosyloxy-2,6-bis(trifluoromethyl)nicotinic acid ethyl ester Formula: C19H17F6NO6S MolecularWeight: 501.396799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=C(C(=C1OS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC1=C(N=C(C(=C1OS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H17F6NO6S/c1-4-30-14-13(32-33(28,29)11-8-6-10(3)7-9-11)12(17(27)31-5-2)15(18(20,21)22)26-16(14)19(23,24)25/h6-9H,4-5H2,1-3H3