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

Systemtic Name: N,N-dimethyl-2-phenyl-ethanamine; 1H-inden-1-ide; zirconium(2+); trichloride Openeye Name: N,N-dimethyl-2-phenyl-ethanamine; 1H-inden-1-ide; zirconium(2+); trichloride CAS Name: N,N-dimethyl-2-phenylethanamine; 1H-inden-1-ide; zirconium(2+); trichloride IUPAC Name: N,N-dimethyl-2-phenylethanamine; 1H-inden-1-ide; zirconium(2+); trichloride Traditional Name: dimethyl(2-phenylethyl)amine; 1H-inden-1-ide; zirconium(2+); trichloride Formula: C57H63Cl3N3Zr3-3 MolecularWeight: 1170.16122

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Descriptors Computed from Structure

Canonical SMILES:

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

CN(C)C[CH-]C1=CC=CC=C1.CN(C)C[CH-]C1=CC=CC=C1.CN(C)C[CH-]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/3C10H14N.3C9H7.3ClH.3Zr/c3*1-11(2)9-8-10-6-4-3-5-7-10;3*1-2-5-9-7-3-6-8(9)4-1;;;;;;/h3*3-8H,9H2,1-2H3;3*1-7H;3*1H;;;/q6*-1;;;;3*+2/p-3