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

Systemtic Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-chloranylphenolate Openeye Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-chlorophenolate CAS Name: 1-[1-bis(4-methoxyphenoxy)phosphoryl-3-pyridin-1-iumyl]ethanone; 4-chlorophenolate IUPAC Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-chlorophenolate Traditional Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-3-yl]ethanone; 4-chlorophenolate Formula: C27H25ClNO7P MolecularWeight: 541.916661

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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[O-])Cl

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[O-])Cl

InChI

InChI=1S/C21H21NO6P.C6H5ClO/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;7-5-1-3-6(8)4-2-5/h4-15H,1-3H3;1-4,8H/q+1;/p-1