iridium(3-); 2-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enoxy]ethyl 2-methylprop-2-enoate; 2-(3H-thiophen-3-id-2-yl)pyridine

Systemtic Name: iridium(3-); 2-[(E)-1-oxidanyl-3-oxidanylidene-but-1-enoxy]ethyl 2-methylprop-2-enoate; 2-(3H-thiophen-3-id-2-yl)pyridine Openeye Name: 2-[(E)-1-hydroxy-3-oxo-but-1-enoxy]ethyl 2-methylprop-2-enoate; iridium(3-); 2-(3H-thiophen-3-id-2-yl)pyridine CAS Name: iridium(3-); 2-methyl-2-propenoic acid 2-[(E)-1-hydroxy-3-oxobut-1-enoxy]ethyl ester; 2-(3H-thiophen-3-id-2-yl)pyridine IUPAC Name: 2-[(E)-1-hydroxy-3-oxobut-1-enoxy]ethyl 2-methylprop-2-enoate; iridium(3-); 2-(3H-thiophen-3-id-2-yl)pyridine Traditional Name: iridium(3-); 2-methylacrylic acid 2-[(E)-1-hydroxy-3-keto-but-1-enoxy]ethyl ester; 2-(3H-thiophen-3-id-2-yl)pyridine Formula: C28H26IrN2O5S2-5 MolecularWeight: 726.86344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCOC(=CC(=O)C)O.C1=CC=NC(=C1)C2=[C-]C=CS2.C1=CC=NC(=C1)C2=[C-]C=CS2.[Ir-3]

Isomeric SMILES

CC(=C)C(=O)OCCO/C(=C/C(=O)C)/O.C1=CC=NC(=C1)C2=[C-]C=CS2.C1=CC=NC(=C1)C2=[C-]C=CS2.[Ir-3]

InChI

InChI=1S/C10H14O5.2C9H6NS.Ir/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11;2*1-2-6-10-8(4-1)9-5-3-7-11-9;/h6,12H,1,4-5H2,2-3H3;2*1-4,6-7H;/q;2*-1;-3/b9-6+;;;