1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 3-cyanophenolate

Systemtic Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 3-cyanophenolate Openeye Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 3-cyanophenolate CAS Name: 1-[1-bis(4-methoxyphenoxy)phosphoryl-3-pyridin-1-iumyl]ethanone; 3-cyanophenolate IUPAC Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 3-cyanophenolate Traditional Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 3-cyanophenolate Formula: C28H25N2O7P MolecularWeight: 532.481061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)P(=O)(OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC.C1=CC(=CC(=C1)[O-])C#N

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)P(=O)(OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC.C1=CC(=CC(=C1)[O-])C#N

InChI

InChI=1S/C21H21NO6P.C7H5NO/c1-16(23)17-5-4-14-22(15-17)29(24,27-20-10-6-18(25-2)7-11-20)28-21-12-8-19(26-3)9-13-21;8-5-6-2-1-3-7(9)4-6/h4-15H,1-3H3;1-4,9H/q+1;/p-1