iridium(3-); 2-phenyl-1,3-benzothiazole; pyridine-2-carboxylic acid

Systemtic Name: iridium(3-); 2-phenyl-1,3-benzothiazole; pyridine-2-carboxylic acid Openeye Name: iridium(3-); 2-phenyl-1,3-benzothiazole; pyridine-2-carboxylic acid CAS Name: iridium(3-); 2-phenyl-1,3-benzothiazole; 2-pyridinecarboxylic acid IUPAC Name: iridium(3-); 2-phenyl-1,3-benzothiazole; pyridine-2-carboxylic acid Traditional Name: iridium(3-); 2-phenyl-1,3-benzothiazole; picolinic acid Formula: C32H21IrN3O2S2-5 MolecularWeight: 735.87504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.C1=CC=NC(=C1)C(=O)O.[Ir-3]

Isomeric SMILES

C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.C1=CC=NC(=C1)C(=O)O.[Ir-3]

InChI

InChI=1S/2C13H8NS.C6H5NO2.Ir/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;8-6(9)5-3-1-2-4-7-5;/h2*1-6,8-9H;1-4H,(H,8,9);/q2*-1;;-3