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

Systemtic Name: 5,5-dicyclohexyl-4-(phenylmethyl)-4H-1,3-oxazole; nickel(2+); dibromide Openeye Name: nickelous 4-benzyl-5,5-dicyclohexyl-4H-oxazole dibromide CAS Name: 5,5-dicyclohexyl-4-(phenylmethyl)-4H-oxazole; nickel(2+); dibromide IUPAC Name: 4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole; nickel(2+); dibromide Traditional Name: nickelous 4-benzyl-5,5-dicyclohexyl-2-oxazoline dibromide Formula: C22H31Br2NNiO MolecularWeight: 543.98904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(C(N=CO2)CC3=CC=CC=C3)C4CCCCC4.[Ni+2].[Br-].[Br-]

Isomeric SMILES

C1CCC(CC1)C2(C(N=CO2)CC3=CC=CC=C3)C4CCCCC4.[Ni+2].[Br-].[Br-]

InChI

InChI=1S/C22H31NO.2BrH.Ni/c1-4-10-18(11-5-1)16-21-22(24-17-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;;;/h1,4-5,10-11,17,19-21H,2-3,6-9,12-16H2;2*1H;/q;;;+2/p-2