1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-nitrophenolate

Systemtic Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-nitrophenolate Openeye Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-nitrophenolate CAS Name: 1-[1-bis(4-methoxyphenoxy)phosphoryl-3-pyridin-1-iumyl]ethanone; 4-nitrophenolate IUPAC Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-nitrophenolate Traditional Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-nitrophenolate Formula: C27H25N2O9P MolecularWeight: 552.469161

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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(=CC=C1[N+](=O)[O-])[O-]

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(=CC=C1[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H21NO6P.C6H5NO3/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;8-6-3-1-5(2-4-6)7(9)10/h4-15H,1-3H3;1-4,8H/q+1;/p-1