1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 3-cyanophenolate

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 3-cyanophenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 3-cyanophenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methylpyridin-1-ium; 3-cyanophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methylpyridin-1-ium; 3-cyanophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 3-cyanophenolate Formula: C27H25N2O6P MolecularWeight: 504.470961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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