1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-chloranyl-3-cyano-phenolate

Systemtic Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-chloranyl-3-cyano-phenolate Openeye Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-chloro-3-cyano-phenolate CAS Name: 1-[1-bis(4-methoxyphenoxy)phosphoryl-3-pyridin-1-iumyl]ethanone; 4-chloro-3-cyanophenolate IUPAC Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-chloro-3-cyanophenolate Traditional Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-chloro-3-cyano-phenolate Formula: C28H24ClN2O7P MolecularWeight: 566.926121

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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(=C(C=C1[O-])C#N)Cl

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(=C(C=C1[O-])C#N)Cl

InChI

InChI=1S/C21H21NO6P.C7H4ClNO/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;8-7-2-1-6(10)3-5(7)4-9/h4-15H,1-3H3;1-3,10H/q+1;/p-1