N,N-dimethyl-2-phenyl-propan-1-amine; 1H-inden-1-ide; zirconium(2+); trichloride

Systemtic Name: N,N-dimethyl-2-phenyl-propan-1-amine; 1H-inden-1-ide; zirconium(2+); trichloride Openeye Name: N,N-dimethyl-2-phenyl-propan-1-amine; 1H-inden-1-ide; zirconium(2+); trichloride CAS Name: N,N-dimethyl-2-phenyl-1-propanamine; 1H-inden-1-ide; zirconium(2+); trichloride IUPAC Name: N,N-dimethyl-2-phenylpropan-1-amine; 1H-inden-1-ide; zirconium(2+); trichloride Traditional Name: dimethyl(2-phenylpropyl)amine; 1H-inden-1-ide; zirconium(2+); trichloride Formula: C60H69Cl3N3Zr3-3 MolecularWeight: 1212.24096

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Descriptors Computed from Structure

Canonical SMILES:

C[C-](CN(C)C)C1=CC=CC=C1.C[C-](CN(C)C)C1=CC=CC=C1.C[C-](CN(C)C)C1=CC=CC=C1.[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

C[C-](CN(C)C)C1=CC=CC=C1.C[C-](CN(C)C)C1=CC=CC=C1.C[C-](CN(C)C)C1=CC=CC=C1.[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/3C11H16N.3C9H7.3ClH.3Zr/c3*1-10(9-12(2)3)11-7-5-4-6-8-11;3*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h3*4-8H,9H2,1-3H3;3*1-7H;3*1H;;;/q6*-1;;;;3*+2/p-3