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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(C(N=CO2)CC(C)C)C3=CC=CC=C3C.[Ni+2].[Br-].[Br-]

Isomeric SMILES

CC1=CC=CC=C1C2(C(N=CO2)CC(C)C)C3=CC=CC=C3C.[Ni+2].[Br-].[Br-]

InChI

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