5,5-bis(3-methylphenyl)-4-(2-methylpropyl)-4H-1,3-oxazole; nickel(2+); dibromide

Systemtic Name: 5,5-bis(3-methylphenyl)-4-(2-methylpropyl)-4H-1,3-oxazole; nickel(2+); dibromide Openeye Name: nickelous 4-isobutyl-5,5-bis(m-tolyl)-4H-oxazole dibromide CAS Name: 5,5-bis(3-methylphenyl)-4-(2-methylpropyl)-4H-oxazole; nickel(2+); dibromide IUPAC Name: 5,5-bis(3-methylphenyl)-4-(2-methylpropyl)-4H-1,3-oxazole; nickel(2+); dibromide Traditional Name: nickelous 4-isobutyl-5,5-bis(m-tolyl)-2-oxazoline dibromide Formula: C21H25Br2NNiO MolecularWeight: 525.9307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(C(N=CO2)CC(C)C)C3=CC(=CC=C3)C.[Ni+2].[Br-].[Br-]

Isomeric SMILES

CC1=CC=CC(=C1)C2(C(N=CO2)CC(C)C)C3=CC(=CC=C3)C.[Ni+2].[Br-].[Br-]

InChI

InChI=1S/C21H25NO.2BrH.Ni/c1-15(2)11-20-21(23-14-22-20,18-9-5-7-16(3)12-18)19-10-6-8-17(4)13-19;;;/h5-10,12-15,20H,11H2,1-4H3;2*1H;/q;;;+2/p-2