1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 4-chloranyl-3-cyano-phenolate

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 4-chloranyl-3-cyano-phenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 4-chloro-3-cyano-phenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methylpyridin-1-ium; 4-chloro-3-cyanophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methylpyridin-1-ium; 4-chloro-3-cyanophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-methyl-pyridin-1-ium; 4-chloro-3-cyano-phenolate Formula: C27H24ClN2O6P MolecularWeight: 538.916021

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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(=C(C=C1[O-])C#N)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)P(=O)(OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC.C1=CC(=C(C=C1[O-])C#N)Cl

InChI

InChI=1S/C20H21NO5P.C7H4ClNO/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;8-7-2-1-6(10)3-5(7)4-9/h4-15H,1-3H3;1-3,10H/q+1;/p-1