ethanenitrile; iridium; 1-phenylisoquinoline

Systemtic Name: ethanenitrile; iridium; 1-phenylisoquinoline Openeye Name: acetonitrile; iridium; 1-phenylisoquinoline CAS Name: acetonitrile; iridium; 1-phenylisoquinoline IUPAC Name: acetonitrile; iridium; 1-phenylisoquinoline Traditional Name: acetonitrile; iridium; 1-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=NC=CC3=CC=CC=C32.[Ir]

Isomeric SMILES

CC#N.CC#N.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.[Ir]

InChI

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