5-cyclohexyl-4-(3-cyclohexylphenyl)-4,5-dihydro-1,3-oxazole; nickel(2+); dibromide

Systemtic Name: 5-cyclohexyl-4-(3-cyclohexylphenyl)-4,5-dihydro-1,3-oxazole; nickel(2+); dibromide Openeye Name: nickelous 5-cyclohexyl-4-(3-cyclohexylphenyl)-4,5-dihydrooxazole dibromide CAS Name: 5-cyclohexyl-4-(3-cyclohexylphenyl)-4,5-dihydrooxazole; nickel(2+); dibromide IUPAC Name: 5-cyclohexyl-4-(3-cyclohexylphenyl)-4,5-dihydro-1,3-oxazole; nickel(2+); dibromide Traditional Name: nickelous 5-cyclohexyl-4-(3-cyclohexylphenyl)-2-oxazoline dibromide Formula: C21H29Br2NNiO MolecularWeight: 529.96246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(N=CO2)C3=CC=CC(=C3)C4CCCCC4.[Ni+2].[Br-].[Br-]

Isomeric SMILES

C1CCC(CC1)C2C(N=CO2)C3=CC=CC(=C3)C4CCCCC4.[Ni+2].[Br-].[Br-]

InChI

InChI=1S/C21H29NO.2BrH.Ni/c1-3-8-16(9-4-1)18-12-7-13-19(14-18)20-21(23-15-22-20)17-10-5-2-6-11-17;;;/h7,12-17,20-21H,1-6,8-11H2;2*1H;/q;;;+2/p-2