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

Systemtic Name: 5,5-bis(3-methoxyphenyl)-4-(phenylmethyl)-4H-1,3-oxazole; nickel(2+); dibromide Openeye Name: nickelous 4-benzyl-5,5-bis(3-methoxyphenyl)-4H-oxazole dibromide CAS Name: 5,5-bis(3-methoxyphenyl)-4-(phenylmethyl)-4H-oxazole; nickel(2+); dibromide IUPAC Name: 4-benzyl-5,5-bis(3-methoxyphenyl)-4H-1,3-oxazole; nickel(2+); dibromide Traditional Name: nickelous 4-benzyl-5,5-bis(3-methoxyphenyl)-2-oxazoline dibromide Formula: C24H23Br2NNiO3 MolecularWeight: 591.94572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(C(N=CO2)CC3=CC=CC=C3)C4=CC(=CC=C4)OC.[Ni+2].[Br-].[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C2(C(N=CO2)CC3=CC=CC=C3)C4=CC(=CC=C4)OC.[Ni+2].[Br-].[Br-]

InChI

InChI=1S/C24H23NO3.2BrH.Ni/c1-26-21-12-6-10-19(15-21)24(20-11-7-13-22(16-20)27-2)23(25-17-28-24)14-18-8-4-3-5-9-18;;;/h3-13,15-17,23H,14H2,1-2H3;2*1H;/q;;;+2/p-2