ethyl 6-(1,2-diphenylethenyl)pyridine-3-carboxylate; iridium; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: ethyl 6-(1,2-diphenylethenyl)pyridine-3-carboxylate; iridium; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: ethyl 6-(1,2-diphenylvinyl)pyridine-3-carboxylate; (Z)-4-hydroxypent-3-en-2-one; iridium CAS Name: 6-(1,2-diphenylethenyl)-3-pyridinecarboxylic acid ethyl ester; (Z)-4-hydroxy-3-penten-2-one; iridium IUPAC Name: ethyl 6-(1,2-diphenylethenyl)pyridine-3-carboxylate; (Z)-4-hydroxypent-3-en-2-one; iridium Traditional Name: 6-(1,2-diphenylvinyl)nicotinic acid ethyl ester; (Z)-4-hydroxypent-3-en-2-one; iridium Formula: C27H26IrNO4- MolecularWeight: 620.71664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C(=[C-]C2=CC=CC=C2)C3=CC=CC=C3.CC(=CC(=O)C)O.[Ir]

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C(=[C-]C2=CC=CC=C2)C3=CC=CC=C3.C/C(=C/C(=O)C)/O.[Ir]

InChI

InChI=1S/C22H18NO2.C5H8O2.Ir/c1-2-25-22(24)19-13-14-21(23-16-19)20(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17;1-4(6)3-5(2)7;/h3-14,16H,2H2,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;