iridium(3-); 2-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enoxy]ethyl 3-carbazol-9-yl-2-ethyl-2-methyl-butanoate; 1-phenylisoquinoline

Systemtic Name: iridium(3-); 2-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enoxy]ethyl 3-carbazol-9-yl-2-ethyl-2-methyl-butanoate; 1-phenylisoquinoline Openeye Name: 2-[(E)-1-hydroxy-3-oxo-but-1-enoxy]ethyl 3-carbazol-9-yl-2-ethyl-2-methyl-butanoate; iridium(3-); 1-phenylisoquinoline CAS Name: 3-(9-carbazolyl)-2-ethyl-2-methylbutanoic acid 2-[(E)-1-hydroxy-3-oxobut-1-enoxy]ethyl ester; iridium(3-); 1-phenylisoquinoline IUPAC Name: 2-[(E)-1-hydroxy-3-oxobut-1-enoxy]ethyl 3-carbazol-9-yl-2-ethyl-2-methylbutanoate; iridium(3-); 1-phenylisoquinoline Traditional Name: 3-carbazol-9-yl-2-ethyl-2-methyl-butyric acid 2-[(E)-1-hydroxy-3-keto-but-1-enoxy]ethyl ester; iridium(3-); 1-phenylisoquinoline Formula: C55H49IrN3O5-5 MolecularWeight: 1024.21166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C)N1C2=CC=CC=C2C3=CC=CC=C31)C(=O)OCCOC(=CC(=O)C)O.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.[Ir-3]

Isomeric SMILES

CCC(C)(C(C)N1C2=CC=CC=C2C3=CC=CC=C31)C(=O)OCCO/C(=C/C(=O)C)/O.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.[Ir-3]

InChI

InChI=1S/C25H29NO5.2C15H10N.Ir/c1-5-25(4,24(29)31-15-14-30-23(28)16-17(2)27)18(3)26-21-12-8-6-10-19(21)20-11-7-9-13-22(20)26;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h6-13,16,18,28H,5,14-15H2,1-4H3;2*1-7,9-11H;/q;2*-1;-3/b23-16+;;;