methyl 4-(4-methylphenyl)sulfonyloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)sulfonyloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Openeye Name: methyl 4-(p-tolylsulfonyloxy)-2,6-bis(trifluoromethyl)pyridine-3-carboxylate CAS Name: 4-(4-methylphenyl)sulfonyloxy-2,6-bis(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)sulfonyloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 4-tosyloxy-2,6-bis(trifluoromethyl)nicotinic acid methyl ester Formula: C16H11F6NO5S MolecularWeight: 443.317659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=C2C(=O)OC)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=C2C(=O)OC)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6NO5S/c1-8-3-5-9(6-4-8)29(25,26)28-10-7-11(15(17,18)19)23-13(16(20,21)22)12(10)14(24)27-2/h3-7H,1-2H3