(Z)-2,6-dimethyl-5-oxidanyl-hept-4-en-3-one; 1,1-dimethyl-3-phenyl-isoindole; iridium

Systemtic Name: (Z)-2,6-dimethyl-5-oxidanyl-hept-4-en-3-one; 1,1-dimethyl-3-phenyl-isoindole; iridium Openeye Name: 1,1-dimethyl-3-phenyl-isoindole; (Z)-5-hydroxy-2,6-dimethyl-hept-4-en-3-one; iridium CAS Name: 1,1-dimethyl-3-phenylisoindole; (Z)-5-hydroxy-2,6-dimethyl-4-hepten-3-one; iridium IUPAC Name: 1,1-dimethyl-3-phenylisoindole; (Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one; iridium Traditional Name: 1,1-dimethyl-3-phenyl-isoindole; (Z)-5-hydroxy-2,6-dimethyl-hept-4-en-3-one; iridium Formula: C25H30IrNO2- MolecularWeight: 568.7282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=CC(=O)C(C)C)O.CC1(C2=CC=CC=C2C(=N1)C3=CC=CC=[C-]3)C.[Ir]

Isomeric SMILES

CC(C)/C(=C/C(=O)C(C)C)/O.CC1(C2=CC=CC=C2C(=N1)C3=CC=CC=[C-]3)C.[Ir]

InChI

InChI=1S/C16H14N.C9H16O2.Ir/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12;1-6(2)8(10)5-9(11)7(3)4;/h3-8,10-11H,1-2H3;5-7,10H,1-4H3;/q-1;;/b;8-5-;