iridium; 2-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-5-(trifluoromethyl)pyridine

Systemtic Name: iridium; 2-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-5-(trifluoromethyl)pyridine Openeye Name: iridium; 2-tetralin-7-id-6-yl-5-(trifluoromethyl)pyridine CAS Name: iridium; 2-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-5-(trifluoromethyl)pyridine IUPAC Name: iridium; 2-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-5-(trifluoromethyl)pyridine Traditional Name: iridium; 2-tetralin-7-id-6-yl-5-(trifluoromethyl)pyridine Formula: C48H39F9IrN3-3 MolecularWeight: 1021.045989

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=[C-]C(=C2)C3=NC=C(C=C3)C(F)(F)F.C1CCC2=C(C1)C=[C-]C(=C2)C3=NC=C(C=C3)C(F)(F)F.C1CCC2=C(C1)C=[C-]C(=C2)C3=NC=C(C=C3)C(F)(F)F.[Ir]

Isomeric SMILES

C1CCC2=C(C1)C=[C-]C(=C2)C3=NC=C(C=C3)C(F)(F)F.C1CCC2=C(C1)C=[C-]C(=C2)C3=NC=C(C=C3)C(F)(F)F.C1CCC2=C(C1)C=[C-]C(=C2)C3=NC=C(C=C3)C(F)(F)F.[Ir]

InChI

InChI=1S/3C16H13F3N.Ir/c3*17-16(18,19)14-7-8-15(20-10-14)13-6-5-11-3-1-2-4-12(11)9-13;/h3*5,7-10H,1-4H2;/q3*-1;