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

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloranyl-pyridin-1-ium; 3-cyano-4-nitro-phenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloro-pyridin-1-ium; 3-cyano-4-nitro-phenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloropyridin-1-ium; 3-cyano-4-nitrophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloropyridin-1-ium; 3-cyano-4-nitrophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphoryl-3-chloro-pyridin-1-ium; 3-cyano-4-nitro-phenolate Formula: C26H21ClN3O8P MolecularWeight: 569.887001

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO5P.C7H4N2O3/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;8-4-5-3-6(10)1-2-7(5)9(11)12/h3-14H,1-2H3;1-3,10H/q+1;/p-1