4-diethoxyphosphoryloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 4-diethoxyphosphoryloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 4-diethoxyphosphoryloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 4-diethoxyphosphoryloxy-2,6-bis(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 4-diethoxyphosphoryloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 4-diethoxyphosphoryloxy-2,6-bis(trifluoromethyl)nicotinic acid Formula: C12H12F6NO6P MolecularWeight: 411.19096

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=CC(=NC(=C1C(=O)O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOP(=O)(OCC)OC1=CC(=NC(=C1C(=O)O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H12F6NO6P/c1-3-23-26(22,24-4-2)25-6-5-7(11(13,14)15)19-9(12(16,17)18)8(6)10(20)21/h5H,3-4H2,1-2H3,(H,20,21)