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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6P.C6H5ClO/c1-16(23)17-12-14-22(15-13-17)29(24,27-20-8-4-18(25-2)5-9-20)28-21-10-6-19(26-3)7-11-21;7-5-2-1-3-6(8)4-5/h4-15H,1-3H3;1-4,8H/q+1;/p-1