10H-benzo[h]quinolin-10-ide; carbanide; iridium; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one

Systemtic Name: 10H-benzo[h]quinolin-10-ide; carbanide; iridium; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one Openeye Name: 10H-benzo[h]quinolin-10-ide; carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; iridium CAS Name: 10H-benzo[h]quinolin-10-ide; carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one; iridium IUPAC Name: 10H-benzo[h]quinolin-10-ide; carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one; iridium Traditional Name: 10H-benzo[h]quinolin-10-ide; carbanide; (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; iridium Formula: C38H39IrN2O2-3 MolecularWeight: 747.94546

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC(C)(C)C(=CC(=O)C(C)(C)C)O.C1=CC2=C([C-]=C1)C3=C(C=CC=N3)C=C2.C1=CC2=C([C-]=C1)C3=C(C=CC=N3)C=C2.[Ir]

Isomeric SMILES

[CH3-].CC(C)(C)/C(=C/C(=O)C(C)(C)C)/O.C1=CC2=C([C-]=C1)C3=C(C=CC=N3)C=C2.C1=CC2=C([C-]=C1)C3=C(C=CC=N3)C=C2.[Ir]

InChI

InChI=1S/2C13H8N.C11H20O2.CH3.Ir/c2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*1-5,7-9H;7,12H,1-6H3;1H3;/q2*-1;;-1;/b;;8-7-;;