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

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-(phenylmethyl)pyridin-1-ium; 4-cyanophenolate Openeye Name: 4-benzyl-1-bis(4-methoxyphenoxy)phosphoryl-pyridin-1-ium; 4-cyanophenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-(phenylmethyl)pyridin-1-ium; 4-cyanophenolate IUPAC Name: 4-benzyl-1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium; 4-cyanophenolate Traditional Name: 4-benzyl-1-bis(4-methoxyphenoxy)phosphoryl-pyridin-1-ium; 4-cyanophenolate Formula: C33H29N2O6P MolecularWeight: 580.566921

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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(=CC=C1C#N)[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(=CC=C1C#N)[O-]

InChI

InChI=1S/C26H25NO5P.C7H5NO/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;8-5-6-1-3-7(9)4-2-6/h3-19H,20H2,1-2H3;1-4,9H/q+1;/p-1