1-bis(4-methoxyphenoxy)phosphoryl-4-methyl-pyridin-1-ium; 4-cyanophenolate

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-methyl-pyridin-1-ium; 4-cyanophenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-methyl-pyridin-1-ium; 4-cyanophenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-methylpyridin-1-ium; 4-cyanophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-methylpyridin-1-ium; 4-cyanophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-methyl-pyridin-1-ium; 4-cyanophenolate Formula: C27H25N2O6P MolecularWeight: 504.470961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)P(=O)(OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC.C1=CC(=CC=C1C#N)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)P(=O)(OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC.C1=CC(=CC=C1C#N)[O-]

InChI

InChI=1S/C20H21NO5P.C7H5NO/c1-16-12-14-21(15-13-16)27(22,25-19-8-4-17(23-2)5-9-19)26-20-10-6-18(24-3)7-11-20;8-5-6-1-3-7(9)4-2-6/h4-15H,1-3H3;1-4,9H/q+1;/p-1