ethanenitrile; iridium; 3-phenylisoquinoline

Systemtic Name: ethanenitrile; iridium; 3-phenylisoquinoline Openeye Name: acetonitrile; iridium; 3-phenylisoquinoline CAS Name: acetonitrile; iridium; 3-phenylisoquinoline IUPAC Name: acetonitrile; iridium; 3-phenylisoquinoline Traditional Name: acetonitrile; iridium; 3-phenylisoquinoline Formula: C19H16IrN3- MolecularWeight: 478.56744

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C1=CC=C([C-]=C1)C2=CC3=CC=CC=C3C=N2.[Ir]

Isomeric SMILES

CC#N.CC#N.C1=CC=C([C-]=C1)C2=CC3=CC=CC=C3C=N2.[Ir]

InChI

InChI=1S/C15H10N.2C2H3N.Ir/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;2*1-2-3;/h1-6,8-11H;2*1H3;/q-1;;;