bis(trifluoromethylsulfonyl)azanide; 1-butyl-3-methyl-imidazole; cyclooctane; iridium; triphenylphosphane

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; 1-butyl-3-methyl-imidazole; cyclooctane; iridium; triphenylphosphane Openeye Name: bis(trifluoromethylsulfonyl)azanide; 1-butyl-3-methyl-imidazole; cyclooctane; iridium; triphenylphosphane CAS Name: bis(trifluoromethylsulfonyl)azanide; 1-butyl-3-methylimidazole; cyclooctane; iridium; triphenylphosphine IUPAC Name: bis(trifluoromethylsulfonyl)azanide; 1-butyl-3-methylimidazole; cyclooctane; iridium; triphenylphosphane Traditional Name: 1-butyl-3-methyl-imidazole; cyclooctane; ditriflylazanide; iridium; triphenylphosphine Formula: C36H41F6IrN3O4PS2- MolecularWeight: 981.03962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CN([C]1)C.C1C[CH][CH]CC[CH][CH]1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Ir]

Isomeric SMILES

CCCCN1C=CN([C]1)C.C1C[CH][CH]CC[CH][CH]1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Ir]

InChI

InChI=1S/C18H15P.C8H14N2.C8H12.C2F6NO4S2.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-5-10-7-6-9(2)8-10;1-2-4-6-8-7-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h1-15H;6-7H,3-5H2,1-2H3;1-2,7-8H,3-6H2;;/q;;;-1;