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

Systemtic Name: 5,5-bis(3-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole; nickel(2+); dibromide Openeye Name: nickelous 4-isopropyl-5,5-bis(m-tolyl)-4H-oxazole dibromide CAS Name: 5,5-bis(3-methylphenyl)-4-propan-2-yl-4H-oxazole; nickel(2+); dibromide IUPAC Name: 5,5-bis(3-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole; nickel(2+); dibromide Traditional Name: nickelous 4-isopropyl-5,5-bis(m-tolyl)-2-oxazoline dibromide Formula: C20H23Br2NNiO MolecularWeight: 511.90412

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H23NO.2BrH.Ni/c1-14(2)19-20(22-13-21-19,17-9-5-7-15(3)11-17)18-10-6-8-16(4)12-18;;;/h5-14,19H,1-4H3;2*1H;/q;;;+2/p-2