1-bis(4-methoxyphenoxy)phosphoryl-3-chloranyl-pyridin-1-ium; 3-cyanophenolate

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloranyl-pyridin-1-ium; 3-cyanophenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloro-pyridin-1-ium; 3-cyanophenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloropyridin-1-ium; 3-cyanophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloropyridin-1-ium; 3-cyanophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloro-pyridin-1-ium; 3-cyanophenolate Formula: C26H22ClN2O6P MolecularWeight: 524.889441

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=CC(=C2)Cl)OC3=CC=C(C=C3)OC.C1=CC(=CC(=C1)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=CC(=C2)Cl)OC3=CC=C(C=C3)OC.C1=CC(=CC(=C1)[O-])C#N

InChI

InChI=1S/C19H18ClNO5P.C7H5NO/c1-23-16-5-9-18(10-6-16)25-27(22,21-13-3-4-15(20)14-21)26-19-11-7-17(24-2)8-12-19;8-5-6-2-1-3-7(9)4-6/h3-14H,1-2H3;1-4,9H/q+1;/p-1