cyclooctane; 1,3-dicyclohexylimidazole; iridium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: cyclooctane; 1,3-dicyclohexylimidazole; iridium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: cyclooctane; 1,3-dicyclohexylimidazole; iridium; 2,2,2-trifluoroacetate CAS Name: cyclooctane; 1,3-dicyclohexylimidazole; iridium; 2,2,2-trifluoroacetate IUPAC Name: cyclooctane; 1,3-dicyclohexylimidazole; iridium; 2,2,2-trifluoroacetate Traditional Name: cyclooctane; 1,3-dicyclohexylimidazole; iridium; 2,2,2-trifluoroacetate Formula: C40H60F3IrN4O2- MolecularWeight: 878.14221

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=CN([C]2)C3CCCCC3.C1CCC(CC1)N2C=CN([C]2)C3CCCCC3.C1C[CH][CH]CC[CH][CH]1.C(=O)(C(F)(F)F)[O-].[Ir]

Isomeric SMILES

C1CCC(CC1)N2C=CN([C]2)C3CCCCC3.C1CCC(CC1)N2C=CN([C]2)C3CCCCC3.C1C[CH][CH]CC[CH][CH]1.C(=O)(C(F)(F)F)[O-].[Ir]

InChI

InChI=1S/2C15H24N2.C8H12.C2HF3O2.Ir/c2*1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-2-4-6-8-7-5-3-1;3-2(4,5)1(6)7;/h2*11-12,14-15H,1-10H2;1-2,7-8H,3-6H2;(H,6,7);/p-1