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

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 3-chloranylphenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 3-chlorophenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methylpyridin-1-ium; 3-chlorophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methylpyridin-1-ium; 3-chlorophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 3-chlorophenolate Formula: C26H25ClNO6P MolecularWeight: 513.906561

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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)Cl)[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)Cl)[O-]

InChI

InChI=1S/C20H21NO5P.C6H5ClO/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;7-5-2-1-3-6(8)4-5/h4-15H,1-3H3;1-4,8H/q+1;/p-1