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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(OC=N1)(C2=CC(=CC=C2)OC)C3=CC(=CC=C3)OC.[Ni+2].[Br-].[Br-]

Isomeric SMILES

CC(C)(C)C1C(OC=N1)(C2=CC(=CC=C2)OC)C3=CC(=CC=C3)OC.[Ni+2].[Br-].[Br-]

InChI

InChI=1S/C21H25NO3.2BrH.Ni/c1-20(2,3)19-21(25-14-22-19,15-8-6-10-17(12-15)23-4)16-9-7-11-18(13-16)24-5;;;/h6-14,19H,1-5H3;2*1H;/q;;;+2/p-2