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

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-carbonitrile; 3-chloranylphenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-carbonitrile; 3-chlorophenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-pyridin-1-iumcarbonitrile; 3-chlorophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-carbonitrile; 3-chlorophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-carbonitrile; 3-chlorophenolate Formula: C26H22ClN2O6P MolecularWeight: 524.889441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5P.C6H5ClO/c1-24-17-3-7-19(8-4-17)26-28(23,22-13-11-16(15-21)12-14-22)27-20-9-5-18(25-2)6-10-20;7-5-2-1-3-6(8)4-5/h3-14H,1-2H3;1-4,8H/q+1;/p-1