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

Systemtic Name: 5,5-bis(3-methylphenyl)-4-(phenylmethyl)-4H-1,3-oxazole; nickel(2+); dibromide Openeye Name: nickelous 4-benzyl-5,5-bis(m-tolyl)-4H-oxazole dibromide CAS Name: 5,5-bis(3-methylphenyl)-4-(phenylmethyl)-4H-oxazole; nickel(2+); dibromide IUPAC Name: 4-benzyl-5,5-bis(3-methylphenyl)-4H-1,3-oxazole; nickel(2+); dibromide Traditional Name: nickelous 4-benzyl-5,5-bis(m-tolyl)-2-oxazoline dibromide Formula: C24H23Br2NNiO MolecularWeight: 559.94692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(C(N=CO2)CC3=CC=CC=C3)C4=CC(=CC=C4)C.[Ni+2].[Br-].[Br-]

Isomeric SMILES

CC1=CC=CC(=C1)C2(C(N=CO2)CC3=CC=CC=C3)C4=CC(=CC=C4)C.[Ni+2].[Br-].[Br-]

InChI

InChI=1S/C24H23NO.2BrH.Ni/c1-18-8-6-12-21(14-18)24(22-13-7-9-19(2)15-22)23(25-17-26-24)16-20-10-4-3-5-11-20;;;/h3-15,17,23H,16H2,1-2H3;2*1H;/q;;;+2/p-2