iridium; 9-methyl-2-pyridin-2-yl-3H-carbazol-3-ide; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: iridium; 9-methyl-2-pyridin-2-yl-3H-carbazol-3-ide; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 9-methyl-2-(2-pyridyl)-3H-carbazol-3-ide CAS Name: (Z)-4-hydroxy-3-penten-2-one; iridium; 9-methyl-2-(2-pyridinyl)-3H-carbazol-3-ide IUPAC Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 9-methyl-2-pyridin-2-yl-3H-carbazol-3-ide Traditional Name: (Z)-4-hydroxypent-3-en-2-one; iridium; 9-methyl-2-(2-pyridyl)-3H-carbazol-3-ide Formula: C23H21IrN2O2- MolecularWeight: 549.64204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.CN1C2=CC=CC=C2C3=C1C=C([C-]=C3)C4=CC=CC=N4.[Ir]

Isomeric SMILES

C/C(=C/C(=O)C)/O.CN1C2=CC=CC=C2C3=C1C=C([C-]=C3)C4=CC=CC=N4.[Ir]

InChI

InChI=1S/C18H13N2.C5H8O2.Ir/c1-20-17-8-3-2-6-14(17)15-10-9-13(12-18(15)20)16-7-4-5-11-19-16;1-4(6)3-5(2)7;/h2-8,10-12H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;