1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 4-chloranyl-3-cyano-phenolate

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 4-chloranyl-3-cyano-phenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 4-chloro-3-cyano-phenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-pyridin-1-iumamine; 4-chloro-3-cyanophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 4-chloro-3-cyanophenolate Traditional Name: [1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-yl]amine; 4-chloro-3-cyano-phenolate Formula: C26H23ClN3O6P MolecularWeight: 539.904081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N2O5P.C7H4ClNO/c1-23-16-3-7-18(8-4-16)25-27(22,21-13-11-15(20)12-14-21)26-19-9-5-17(24-2)6-10-19;8-7-2-1-6(10)3-5(7)4-9/h3-14,20H,1-2H3;1-3,10H