benzimidazol-1-id-2-ylmethyl(diphenyl)phosphanium; iridium; pyridine-2-carboxylic acid

Systemtic Name: benzimidazol-1-id-2-ylmethyl(diphenyl)phosphanium; iridium; pyridine-2-carboxylic acid Openeye Name: benzimidazol-1-id-2-ylmethyl(diphenyl)phosphonium; iridium; pyridine-2-carboxylic acid CAS Name: 2-benzimidazol-1-idylmethyl(diphenyl)phosphonium; iridium; 2-pyridinecarboxylic acid IUPAC Name: benzimidazol-1-id-2-ylmethyl(diphenyl)phosphanium; iridium; pyridine-2-carboxylic acid Traditional Name: benzimidazol-1-id-2-ylmethyl(diphenyl)phosphonium; iridium; picolinic acid Formula: C26H22IrN3O2P MolecularWeight: 631.662541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](CC2=NC3=CC=CC=C3[N-]2)C4=CC=CC=C4.C1=CC=NC(=C1)C(=O)O.[Ir]

Isomeric SMILES

C1=CC=C(C=C1)[PH+](CC2=NC3=CC=CC=C3[N-]2)C4=CC=CC=C4.C1=CC=NC(=C1)C(=O)O.[Ir]

InChI

InChI=1S/C20H16N2P.C6H5NO2.Ir/c1-3-9-16(10-4-1)23(17-11-5-2-6-12-17)15-20-21-18-13-7-8-14-19(18)22-20;8-6(9)5-3-1-2-4-7-5;/h1-14H,15H2;1-4H,(H,8,9);/q-1;;/p+1