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

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

Systemtic Name:5,5-dicyclohexyl-4-phenyl-4H-1,3-oxazole; nickel(2+); dibromide
Openeye Name:nickelous 5,5-dicyclohexyl-4-phenyl-4H-oxazole dibromide
CAS Name:5,5-dicyclohexyl-4-phenyl-4H-oxazole; nickel(2+); dibromide
IUPAC Name:5,5-dicyclohexyl-4-phenyl-4H-1,3-oxazole; nickel(2+); dibromide
Traditional Name:nickelous 5,5-dicyclohexyl-4-phenyl-2-oxazoline dibromide
Formula: C21H29Br2NNiO
MolecularWeight: 529.96246
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H29NO.2BrH.Ni/c1-4-10-17(11-5-1)20-21(23-16-22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19;;;/h1,4-5,10-11,16,18-20H,2-3,6-9,12-15H2;2*1H;/q;;;+2/p-2


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