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

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium; 4-chloranyl-3-cyano-phenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium; 4-chloro-3-cyano-phenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium; 4-chloro-3-cyanophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium; 4-chloro-3-cyanophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium; 4-chloro-3-cyano-phenolate Formula: C26H22ClN2O6P MolecularWeight: 524.889441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H19NO5P.C7H4ClNO/c1-22-16-6-10-18(11-7-16)24-26(21,20-14-4-3-5-15-20)25-19-12-8-17(23-2)9-13-19;8-7-2-1-6(10)3-5(7)4-9/h3-15H,1-2H3;1-3,10H/q+1;/p-1