N,N-dimethyl-2,2-diphenyl-ethanamine; 1H-inden-1-ide; zirconium(2+); trichloride

Systemtic Name: N,N-dimethyl-2,2-diphenyl-ethanamine; 1H-inden-1-ide; zirconium(2+); trichloride Openeye Name: N,N-dimethyl-2,2-diphenyl-ethanamine; 1H-inden-1-ide; zirconium(2+); trichloride CAS Name: N,N-dimethyl-2,2-diphenylethanamine; 1H-inden-1-ide; zirconium(2+); trichloride IUPAC Name: N,N-dimethyl-2,2-diphenylethanamine; 1H-inden-1-ide; zirconium(2+); trichloride Traditional Name: 2,2-diphenylethyl(dimethyl)amine; 1H-inden-1-ide; zirconium(2+); trichloride Formula: C75H75Cl3N3Zr3-3 MolecularWeight: 1398.4491

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C[C-](C1=CC=CC=C1)C2=CC=CC=C2.CN(C)C[C-](C1=CC=CC=C1)C2=CC=CC=C2.CN(C)C[C-](C1=CC=CC=C1)C2=CC=CC=C2.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CN(C)C[C-](C1=CC=CC=C1)C2=CC=CC=C2.CN(C)C[C-](C1=CC=CC=C1)C2=CC=CC=C2.CN(C)C[C-](C1=CC=CC=C1)C2=CC=CC=C2.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C16H18N.3C9H7.3ClH.3Zr/c3*1-17(2)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;3*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h3*3-12H,13H2,1-2H3;3*1-7H;3*1H;;;/q6*-1;;;;3*+2/p-3