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

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 4-nitrophenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 4-nitrophenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methylpyridin-1-ium; 4-nitrophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methylpyridin-1-ium; 4-nitrophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 4-nitrophenolate Formula: C26H25N2O8P MolecularWeight: 524.459061

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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[N+](=O)[O-])[O-]

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[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H21NO5P.C6H5NO3/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;8-6-3-1-5(2-4-6)7(9)10/h4-15H,1-3H3;1-4,8H/q+1;/p-1