iridium(3-); (Z)-3-methyl-4-oxidanyl-pent-3-en-2-one; 2-phenylpyridine

Systemtic Name: iridium(3-); (Z)-3-methyl-4-oxidanyl-pent-3-en-2-one; 2-phenylpyridine Openeye Name: (Z)-4-hydroxy-3-methyl-pent-3-en-2-one; iridium(3-); 2-phenylpyridine CAS Name: (Z)-4-hydroxy-3-methyl-3-penten-2-one; iridium(3-); 2-phenylpyridine IUPAC Name: (Z)-4-hydroxy-3-methylpent-3-en-2-one; iridium(3-); 2-phenylpyridine Traditional Name: (Z)-4-hydroxy-3-methyl-pent-3-en-2-one; iridium(3-); 2-phenylpyridine Formula: C28H26IrN2O2-5 MolecularWeight: 614.73524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H8N.C6H10O2.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(5(2)7)6(3)8;/h2*1-6,8-9H;7H,1-3H3;/q2*-1;;-3/b;;5-4-;