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

Systemtic Name: 5,5-bis(4-methoxyphenyl)-4-(2-methylpropyl)-4H-1,3-oxazole; nickel(2+); dibromide Openeye Name: nickelous 4-isobutyl-5,5-bis(4-methoxyphenyl)-4H-oxazole dibromide CAS Name: 5,5-bis(4-methoxyphenyl)-4-(2-methylpropyl)-4H-oxazole; nickel(2+); dibromide IUPAC Name: 5,5-bis(4-methoxyphenyl)-4-(2-methylpropyl)-4H-1,3-oxazole; nickel(2+); dibromide Traditional Name: nickelous 4-isobutyl-5,5-bis(4-methoxyphenyl)-2-oxazoline dibromide Formula: C21H25Br2NNiO3 MolecularWeight: 557.9295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(OC=N1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.[Ni+2].[Br-].[Br-]

Isomeric SMILES

CC(C)CC1C(OC=N1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.[Ni+2].[Br-].[Br-]

InChI

InChI=1S/C21H25NO3.2BrH.Ni/c1-15(2)13-20-21(25-14-22-20,16-5-9-18(23-3)10-6-16)17-7-11-19(24-4)12-8-17;;;/h5-12,14-15,20H,13H2,1-4H3;2*1H;/q;;;+2/p-2