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

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-(phenylmethyl)pyridin-1-ium; 3-cyano-4-nitro-phenolate Openeye Name: 4-benzyl-1-bis(4-methoxyphenoxy)phosphoryl-pyridin-1-ium; 3-cyano-4-nitro-phenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-(phenylmethyl)pyridin-1-ium; 3-cyano-4-nitrophenolate IUPAC Name: 4-benzyl-1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium; 3-cyano-4-nitrophenolate Traditional Name: 4-benzyl-1-bis(4-methoxyphenoxy)phosphoryl-pyridin-1-ium; 3-cyano-4-nitro-phenolate Formula: C33H28N3O8P MolecularWeight: 625.564481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=C(C=C2)CC3=CC=CC=C3)OC4=CC=C(C=C4)OC.C1=CC(=C(C=C1[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=C(C=C2)CC3=CC=CC=C3)OC4=CC=C(C=C4)OC.C1=CC(=C(C=C1[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C26H25NO5P.C7H4N2O3/c1-29-23-8-12-25(13-9-23)31-33(28,32-26-14-10-24(30-2)11-15-26)27-18-16-22(17-19-27)20-21-6-4-3-5-7-21;8-4-5-3-6(10)1-2-7(5)9(11)12/h3-19H,20H2,1-2H3;1-3,10H/q+1;/p-1