carbanide; iridium; 2-phenylpyridine; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one

Systemtic Name: carbanide; iridium; 2-phenylpyridine; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one Openeye Name: carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; iridium; 2-phenylpyridine CAS Name: carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one; iridium; 2-phenylpyridine IUPAC Name: carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one; iridium; 2-phenylpyridine Traditional Name: carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; iridium; 2-phenylpyridine Formula: C34H39IrN2O2-3 MolecularWeight: 699.90266

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC(C)(C)C(=CC(=O)C(C)(C)C)O.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Ir]

Isomeric SMILES

[CH3-].CC(C)(C)/C(=C/C(=O)C(C)(C)C)/O.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Ir]

InChI

InChI=1S/2C11H8N.C11H20O2.CH3.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*1-6,8-9H;7,12H,1-6H3;1H3;/q2*-1;;-1;/b;;8-7-;;