2,4-bis(oxidanylidene)pentanoate; iridium(3+); 2-phenylpyridine

Systemtic Name: 2,4-bis(oxidanylidene)pentanoate; iridium(3+); 2-phenylpyridine Openeye Name: 2,4-dioxopentanoate; iridium(3+); 2-phenylpyridine CAS Name: 2,4-dioxopentanoate; iridium(3+); 2-phenylpyridine IUPAC Name: 2,4-dioxopentanoate; iridium(3+); 2-phenylpyridine Traditional Name: 2,4-diketovalerate; iridium(3+); 2-phenylpyridine Formula: C37H33IrN2O12 MolecularWeight: 889.88112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=N2.C1=CC=C(C=C1)C2=CC=CC=N2.[Ir+3]

Isomeric SMILES

CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=N2.C1=CC=C(C=C1)C2=CC=CC=N2.[Ir+3]

InChI

InChI=1S/2C11H9N.3C5H6O4.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-3(6)2-4(7)5(8)9;/h2*1-9H;3*2H2,1H3,(H,8,9);/q;;;;;+3/p-3