iridium(3+); 3-methanidyl-2-phenyl-1,3-benzoxazol-3-ium

Systemtic Name: iridium(3+); 3-methanidyl-2-phenyl-1,3-benzoxazol-3-ium Openeye Name: iridium(3+); 3-methanidyl-2-phenyl-1,3-benzoxazol-3-ium CAS Name: iridium(3+); 3-methanidyl-2-phenyl-1,3-benzoxazol-3-ium IUPAC Name: iridium(3+); 3-methanidyl-2-phenyl-1,3-benzoxazol-3-ium Traditional Name: iridium(3+); 3-methanidyl-2-phenyl-1,3-benzoxazol-3-ium Formula: C42H30IrN3O3 MolecularWeight: 816.9229

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-][N+]1=C(OC2=CC=CC=C21)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC2=CC=CC=C21)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC2=CC=CC=C21)C3=CC=CC=[C-]3.[Ir+3]

Isomeric SMILES

[CH2-][N+]1=C(OC2=CC=CC=C21)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC2=CC=CC=C21)C3=CC=CC=[C-]3.[CH2-][N+]1=C(OC2=CC=CC=C21)C3=CC=CC=[C-]3.[Ir+3]

InChI

InChI=1S/3C14H10NO.Ir/c3*1-15-12-9-5-6-10-13(12)16-14(15)11-7-3-2-4-8-11;/h3*2-7,9-10H,1H2;/q3*-1;+3