iridium(3-); 2-(4-methylbenzene-6-id-1-yl)pyridine; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: iridium(3-); 2-(4-methylbenzene-6-id-1-yl)pyridine; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(4-methylbenzene-6-id-1-yl)pyridine CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium(3-); 2-(4-methyl-1-benzene-6-idyl)pyridine IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(4-methylbenzene-6-id-1-yl)pyridine Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 2-(4-methylbenzene-6-id-1-yl)pyridine Formula: C29H28IrN2O2-5 MolecularWeight: 628.76182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C([C-]=C1)C2=CC=CC=N2.CC1=CC=C([C-]=C1)C2=CC=CC=N2.CC(=CC(=O)C)O.[Ir-3]

Isomeric SMILES

CC1=CC=C([C-]=C1)C2=CC=CC=N2.CC1=CC=C([C-]=C1)C2=CC=CC=N2.C/C(=C/C(=O)C)/O.[Ir-3]

InChI

InChI=1S/2C12H10N.C5H8O2.Ir/c2*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-4(6)3-5(2)7;/h2*2-7,9H,1H3;3,6H,1-2H3;/q2*-1;;-3/b;;4-3-;