iridium; 2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole; (E)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one

Systemtic Name: iridium; 2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole; (E)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one Openeye Name: (E)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; iridium; 2-(1-naphthyl)-4-(trifluoromethyl)benzotriazole CAS Name: (E)-5-hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one; iridium; 2-(1-naphthalenyl)-4-(trifluoromethyl)benzotriazole IUPAC Name: (E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one; iridium; 2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole Traditional Name: (E)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; iridium; 2-(1-naphthyl)-4-(trifluoromethyl)benzotriazole Formula: C45H40F6IrN6O2 MolecularWeight: 1003.045519

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=CC(=O)C(C)(C)C)O.C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=C(C4=N3)C(F)(F)F.C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=C(C4=N3)C(F)(F)F.[Ir]

Isomeric SMILES

CC(C)(C)/C(=C\C(=O)C(C)(C)C)/O.C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=C(C4=N3)C(F)(F)F.C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=C(C4=N3)C(F)(F)F.[Ir]

InChI

InChI=1S/2C17H10F3N3.C11H20O2.Ir/c2*18-17(19,20)13-8-4-9-14-16(13)22-23(21-14)15-10-3-6-11-5-1-2-7-12(11)15;1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*1-10H;7,12H,1-6H3;/b;;8-7+;