iridium(3-); (Z)-4-oxidanylpent-3-en-2-one; 1-phenylpyrazole

Systemtic Name: iridium(3-); (Z)-4-oxidanylpent-3-en-2-one; 1-phenylpyrazole Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 1-phenylpyrazole CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium(3-); 1-phenylpyrazole IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 1-phenylpyrazole Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium(3-); 1-phenylpyrazole Formula: C23H22IrN4O2-5 MolecularWeight: 578.66338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1=CC=C([C-]=C1)N2C=CC=N2.C1=CC=C([C-]=C1)N2C=CC=N2.[Ir-3]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1=CC=C([C-]=C1)N2C=CC=N2.C1=CC=C([C-]=C1)N2C=CC=N2.[Ir-3]

InChI

InChI=1S/2C9H7N2.C5H8O2.Ir/c2*1-2-5-9(6-3-1)11-8-4-7-10-11;1-4(6)3-5(2)7;/h2*1-5,7-8H;3,6H,1-2H3;/q2*-1;;-3/b;;4-3-;