iridium(3-); 2-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enoxy]ethyl 2-methylprop-2-enoate; 1-phenylisoquinoline

Systemtic Name: iridium(3-); 2-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enoxy]ethyl 2-methylprop-2-enoate; 1-phenylisoquinoline Openeye Name: 2-[(E)-1-hydroxy-3-oxo-but-1-enoxy]ethyl 2-methylprop-2-enoate; iridium(3-); 1-phenylisoquinoline CAS Name: iridium(3-); 2-methyl-2-propenoic acid 2-[(E)-1-hydroxy-3-oxobut-1-enoxy]ethyl ester; 1-phenylisoquinoline IUPAC Name: 2-[(E)-1-hydroxy-3-oxobut-1-enoxy]ethyl 2-methylprop-2-enoate; iridium(3-); 1-phenylisoquinoline Traditional Name: iridium(3-); 2-methylacrylic acid 2-[(E)-1-hydroxy-3-keto-but-1-enoxy]ethyl ester; 1-phenylisoquinoline Formula: C40H34IrN2O5-5 MolecularWeight: 814.92536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)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

CC(=C)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/2C15H10N.C10H14O5.Ir/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;/h2*1-7,9-11H;6,12H,1,4-5H2,2-3H3;/q2*-1;;-3/b;;9-6+;