iridium; 4-(2-isocyano-2-pyridin-2-yl-ethenyl)-N,N-dimethyl-aniline; (Z)-5-oxidanylhept-4-en-3-one

Systemtic Name: iridium; 4-(2-isocyano-2-pyridin-2-yl-ethenyl)-N,N-dimethyl-aniline; (Z)-5-oxidanylhept-4-en-3-one Openeye Name: (Z)-5-hydroxyhept-4-en-3-one; iridium; 4-[2-isocyano-2-(2-pyridyl)vinyl]-N,N-dimethyl-aniline CAS Name: (Z)-5-hydroxy-4-hepten-3-one; iridium; 4-[2-isocyano-2-(2-pyridinyl)ethenyl]-N,N-dimethylaniline IUPAC Name: (Z)-5-hydroxyhept-4-en-3-one; iridium; 4-(2-isocyano-2-pyridin-2-ylethenyl)-N,N-dimethylaniline Traditional Name: (Z)-5-hydroxyhept-4-en-3-one; iridium; [4-[2-isocyano-2-(2-pyridyl)vinyl]phenyl]-dimethyl-amine Formula: C23H26IrN3O2- MolecularWeight: 568.68844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=O)CC)O.CN(C)C1=CC=C(C=C1)[C-]=C(C2=CC=CC=N2)[N+]#[C-].[Ir]

Isomeric SMILES

CC/C(=C/C(=O)CC)/O.CN(C)C1=CC=C(C=C1)[C-]=C(C2=CC=CC=N2)[N+]#[C-].[Ir]

InChI

InChI=1S/C16H14N3.C7H12O2.Ir/c1-17-16(15-6-4-5-11-18-15)12-13-7-9-14(10-8-13)19(2)3;1-3-6(8)5-7(9)4-2;/h4-11H,2-3H3;5,8H,3-4H2,1-2H3;/q-1;;/b;6-5-;