iridium(3+); 2-phenyl-1,3-benzothiazole

Systemtic Name: iridium(3+); 2-phenyl-1,3-benzothiazole Openeye Name: iridium(3+); 2-phenyl-1,3-benzothiazole CAS Name: iridium(3+); 2-phenyl-1,3-benzothiazole IUPAC Name: iridium(3+); 2-phenyl-1,3-benzothiazole Traditional Name: iridium(3+); 2-phenyl-1,3-benzothiazole Formula: C39H27IrN3S3+3 MolecularWeight: 826.06378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.[Ir+3]

InChI

InChI=1S/3C13H9NS.Ir/c3*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;/h3*1-9H;/q;;;+3