2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 1-phenylisoquinoline

Systemtic Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 1-phenylisoquinoline Openeye Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 1-phenylisoquinoline CAS Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 1-phenylisoquinoline IUPAC Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 1-phenylisoquinoline Traditional Name: 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole; iridium; 1-phenylisoquinoline Formula: C30H19IrN3O2-2 MolecularWeight: 645.70776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.C1=CC=C2C(=C1)[N-]C(=CC3=NC4=CC=CC=C4O3)O2.[Ir]

Isomeric SMILES

C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.C1=CC=C2C(=C1)[N-]/C(=C\C3=NC4=CC=CC=C4O3)/O2.[Ir]

InChI

InChI=1S/C15H9N2O2.C15H10N.Ir/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h1-9H;1-7,9-11H;/q2*-1;/b14-9+;;