1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-carbonitrile; 4-cyanophenolate

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-carbonitrile; 4-cyanophenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-carbonitrile; 4-cyanophenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-pyridin-1-iumcarbonitrile; 4-cyanophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-carbonitrile; 4-cyanophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-carbonitrile; 4-cyanophenolate Formula: C27H22N3O6P MolecularWeight: 515.453841

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=CC(=C2)C#N)OC3=CC=C(C=C3)OC.C1=CC(=CC=C1C#N)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=CC(=C2)C#N)OC3=CC=C(C=C3)OC.C1=CC(=CC=C1C#N)[O-]

InChI

InChI=1S/C20H18N2O5P.C7H5NO/c1-24-17-5-9-19(10-6-17)26-28(23,22-13-3-4-16(14-21)15-22)27-20-11-7-18(25-2)8-12-20;8-5-6-1-3-7(9)4-2-6/h3-13,15H,1-2H3;1-4,9H/q+1;/p-1