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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=[N+](C=C1)P(=O)(OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC.C1=CC(=CC=C1C#N)[O-]

Isomeric SMILES

CC(=O)C1=CC=[N+](C=C1)P(=O)(OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC.C1=CC(=CC=C1C#N)[O-]

InChI

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