(2-chloranyl-4-cyano-pyridin-1-ium-1-yl) bis(4-methoxyphenyl) phosphate; 4-nitrophenolate

Systemtic Name: (2-chloranyl-4-cyano-pyridin-1-ium-1-yl) bis(4-methoxyphenyl) phosphate; 4-nitrophenolate Openeye Name: (2-chloro-4-cyano-pyridin-1-ium-1-yl) bis(4-methoxyphenyl) phosphate; 4-nitrophenolate CAS Name: 4-nitrophenolate; phosphoric acid (2-chloro-4-cyano-1-pyridin-1-iumyl) bis(4-methoxyphenyl) ester IUPAC Name: (2-chloro-4-cyanopyridin-1-ium-1-yl) bis(4-methoxyphenyl) phosphate; 4-nitrophenolate Traditional Name: 4-nitrophenolate; phosphoric acid (2-chloro-4-cyano-pyridin-1-ium-1-yl) bis(4-methoxyphenyl) ester Formula: C26H21ClN3O9P MolecularWeight: 585.886401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)OC)O[N+]3=C(C=C(C=C3)C#N)Cl.C1=CC(=CC=C1[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)OC)O[N+]3=C(C=C(C=C3)C#N)Cl.C1=CC(=CC=C1[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H17ClN2O6P.C6H5NO3/c1-25-16-3-7-18(8-4-16)27-30(24,28-19-9-5-17(26-2)6-10-19)29-23-12-11-15(14-22)13-20(23)21;8-6-3-1-5(2-4-6)7(9)10/h3-13H,1-2H3;1-4,8H/q+1;/p-1