2-(4-tert-butylphenyl)pyridine; 3-(4-ethenylphenyl)carbonyloxypyridine-2-carboxylic acid; iridium(3+)

Systemtic Name: 2-(4-tert-butylphenyl)pyridine; 3-(4-ethenylphenyl)carbonyloxypyridine-2-carboxylic acid; iridium(3+) Openeye Name: 2-(4-tert-butylphenyl)pyridine; iridium(3+); 3-(4-vinylbenzoyl)oxypyridine-2-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)pyridine; 3-[(4-ethenylphenyl)-oxomethoxy]-2-pyridinecarboxylic acid; iridium(3+) IUPAC Name: 2-(4-tert-butylphenyl)pyridine; 3-(4-ethenylbenzoyl)oxypyridine-2-carboxylic acid; iridium(3+) Traditional Name: 2-(4-tert-butylphenyl)pyridine; iridium(3+); 3-(4-vinylbenzoyl)oxypicolinic acid Formula: C45H45IrN3O4+3 MolecularWeight: 884.0735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC=CC=N2.CC(C)(C)C1=CC=C(C=C1)C2=CC=CC=N2.C=CC1=CC=C(C=C1)C(=O)OC2=C(N=CC=C2)C(=O)O.[Ir+3]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC=CC=N2.CC(C)(C)C1=CC=C(C=C1)C2=CC=CC=N2.C=CC1=CC=C(C=C1)C(=O)OC2=C(N=CC=C2)C(=O)O.[Ir+3]

InChI

InChI=1S/C15H11NO4.2C15H17N.Ir/c1-2-10-5-7-11(8-6-10)15(19)20-12-4-3-9-16-13(12)14(17)18;2*1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;/h2-9H,1H2,(H,17,18);2*4-11H,1-3H3;/q;;;+3