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

Systemtic Name: iridium(3-); 2-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enoxy]ethyl 2-methylprop-2-enoate; 2-(phenylmethyl)pyridine Openeye Name: 2-[(E)-1-hydroxy-3-oxo-but-1-enoxy]ethyl 2-methylprop-2-enoate; iridium(3-); 2-(phenylmethyl)pyridine CAS Name: iridium(3-); 2-methyl-2-propenoic acid 2-[(E)-1-hydroxy-3-oxobut-1-enoxy]ethyl ester; 2-(phenylmethyl)pyridine IUPAC Name: 2-[(E)-1-hydroxy-3-oxobut-1-enoxy]ethyl 2-methylprop-2-enoate; iridium(3-); 2-(phenylmethyl)pyridine Traditional Name: 2-(benzyl)pyridine; iridium(3-); 2-methylacrylic acid 2-[(E)-1-hydroxy-3-keto-but-1-enoxy]ethyl ester Formula: C34H34IrN2O5-5 MolecularWeight: 742.86116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCOC(=CC(=O)C)O.C1=CC=C([C-]=C1)CC2=CC=CC=N2.C1=CC=C([C-]=C1)CC2=CC=CC=N2.[Ir-3]

Isomeric SMILES

CC(=C)C(=O)OCCO/C(=C/C(=O)C)/O.C1=CC=C([C-]=C1)CC2=CC=CC=N2.C1=CC=C([C-]=C1)CC2=CC=CC=N2.[Ir-3]

InChI

InChI=1S/2C12H10N.C10H14O5.Ir/c2*1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;/h2*1-6,8-9H,10H2;6,12H,1,4-5H2,2-3H3;/q2*-1;;-3/b;;9-6+;