1-ethoxybutane-1,3-diol; 2-(4-fluoranylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium

Systemtic Name: 1-ethoxybutane-1,3-diol; 2-(4-fluoranylbenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium Openeye Name: 1-ethoxybutane-1,3-diol; 2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium CAS Name: 1-ethoxybutane-1,3-diol; 2-(4-fluoro-1-benzene-6-idyl)-5-(trifluoromethyl)pyridine; iridium IUPAC Name: 1-ethoxybutane-1,3-diol; 2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium Traditional Name: 1-ethoxybutane-1,3-diol; 2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium Formula: C18H20F4IrNO3- MolecularWeight: 566.566913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C)O)O.C1=CC(=NC=C1C(F)(F)F)C2=CC=C(C=[C-]2)F.[Ir]

Isomeric SMILES

CCOC(CC(C)O)O.C1=CC(=NC=C1C(F)(F)F)C2=CC=C(C=[C-]2)F.[Ir]

InChI

InChI=1S/C12H6F4N.C6H14O3.Ir/c13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-3-9-6(8)4-5(2)7;/h1,3-7H;5-8H,3-4H2,1-2H3;/q-1;;