benzene; iridium(3+); isoquinoline

Systemtic Name: benzene; iridium(3+); isoquinoline Openeye Name: benzene; iridium(3+); isoquinoline CAS Name: benzene; iridium(3+); isoquinoline IUPAC Name: benzene; iridium(3+); isoquinoline Traditional Name: benzene; iridium(3+); isoquinoline Formula: C15H12IrN+2 MolecularWeight: 398.47948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[C-]C=C1.C1=CC=C2C=NC=CC2=C1.[Ir+3]

Isomeric SMILES

C1=CC=[C-]C=C1.C1=CC=C2C=NC=CC2=C1.[Ir+3]

InChI

InChI=1S/C9H7N.C6H5.Ir/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-6-5-3-1;/h1-7H;1-5H;/q;-1;+3