iridium(3+); 1-methanidyl-2-phenyl-3,1-benzoxazin-1-ium-4-one

Systemtic Name: iridium(3+); 1-methanidyl-2-phenyl-3,1-benzoxazin-1-ium-4-one Openeye Name: iridium(3+); 1-methanidyl-2-phenyl-3,1-benzoxazin-1-ium-4-one CAS Name: iridium(3+); 1-methanidyl-2-phenyl-3,1-benzoxazin-1-ium-4-one IUPAC Name: iridium(3+); 1-methanidyl-2-phenyl-3,1-benzoxazin-1-ium-4-one Traditional Name: iridium(3+); 1-methanidyl-2-phenyl-3,1-benzoxazin-1-ium-4-one Formula: C45H30IrN3O6 MolecularWeight: 900.9532

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-][N+]1=C(OC(=O)C2=CC=CC=C21)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC(=O)C2=CC=CC=C21)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC(=O)C2=CC=CC=C21)C3=CC=CC=[C-]3.[Ir+3]

Isomeric SMILES

[CH2-][N+]1=C(OC(=O)C2=CC=CC=C21)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC(=O)C2=CC=CC=C21)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC(=O)C2=CC=CC=C21)C3=CC=CC=[C-]3.[Ir+3]

InChI

InChI=1S/3C15H10NO2.Ir/c3*1-16-13-10-6-5-9-12(13)15(17)18-14(16)11-7-3-2-4-8-11;/h3*2-7,9-10H,1H2;/q3*-1;+3