2-(2,2-dimethylpropyl)-6-pyridin-2-yl-pyridine; gold(1+); dihexafluorophosphate; dihydrate

Systemtic Name: 2-(2,2-dimethylpropyl)-6-pyridin-2-yl-pyridine; gold(1+); dihexafluorophosphate; dihydrate Openeye Name: 2-(2,2-dimethylpropyl)-6-(2-pyridyl)pyridine; gold(1+); dihexafluorophosphate; dihydrate CAS Name: 2-(2,2-dimethylpropyl)-6-(2-pyridinyl)pyridine; gold(1+); dihexafluorophosphate; dihydrate IUPAC Name: 2-(2,2-dimethylpropyl)-6-pyridin-2-ylpyridine; gold(1+); dihexafluorophosphate; dihydrate Traditional Name: gold(1+); 2-neopentyl-6-(2-pyridyl)pyridine; dihexafluorophosphate; dihydrate Formula: C30H40Au2F12N4O2P2 MolecularWeight: 1172.52566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=CC(=N1)C2=CC=CC=N2.CC(C)(C)CC1=CC=CC(=N1)C2=CC=CC=N2.O.O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Au+].[Au+]

Isomeric SMILES

CC(C)(C)CC1=CC=CC(=N1)C2=CC=CC=N2.CC(C)(C)CC1=CC=CC(=N1)C2=CC=CC=N2.O.O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Au+].[Au+]

InChI

InChI=1S/2C15H18N2.2Au.2F6P.2H2O/c2*1-15(2,3)11-12-7-6-9-14(17-12)13-8-4-5-10-16-13;;;2*1-7(2,3,4,5)6;;/h2*4-10H,11H2,1-3H3;;;;;2*1H2/q;;2*+1;2*-1;;