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

Systemtic Name: 4-tert-butyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazole; nickel(2+); dibromide Openeye Name: nickelous 4-tert-butyl-5,5-bis(m-tolyl)-4H-oxazole dibromide CAS Name: 4-tert-butyl-5,5-bis(3-methylphenyl)-4H-oxazole; nickel(2+); dibromide IUPAC Name: 4-tert-butyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazole; nickel(2+); dibromide Traditional Name: nickelous 4-tert-butyl-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)C(C)(C)C)C3=CC(=CC=C3)C.[Ni+2].[Br-].[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO.2BrH.Ni/c1-15-8-6-10-17(12-15)21(18-11-7-9-16(2)13-18)19(20(3,4)5)22-14-23-21;;;/h6-14,19H,1-5H3;2*1H;/q;;;+2/p-2