1H-inden-1-ide; N,N,3,3-tetramethylbutan-1-amine; zirconium(2+); trichloride

Systemtic Name: 1H-inden-1-ide; N,N,3,3-tetramethylbutan-1-amine; zirconium(2+); trichloride Openeye Name: 1H-inden-1-ide; N,N,3,3-tetramethylbutan-1-amine; zirconium(2+); trichloride CAS Name: 1H-inden-1-ide; N,N,3,3-tetramethyl-1-butanamine; zirconium(2+); trichloride IUPAC Name: 1H-inden-1-ide; N,N,3,3-tetramethylbutan-1-amine; zirconium(2+); trichloride Traditional Name: 3,3-dimethylbutyl(dimethyl)amine; 1H-inden-1-ide; zirconium(2+); trichloride Formula: C51H75Cl3N3Zr3-3 MolecularWeight: 1110.1923

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Descriptors Computed from Structure

Canonical SMILES:

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

CC(C)(C)[CH-]CN(C)C.CC(C)(C)[CH-]CN(C)C.CC(C)(C)[CH-]CN(C)C.[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/3C9H7.3C8H18N.3ClH.3Zr/c3*1-2-5-9-7-3-6-8(9)4-1;3*1-8(2,3)6-7-9(4)5;;;;;;/h3*1-7H;3*6H,7H2,1-5H3;3*1H;;;/q6*-1;;;;3*+2/p-3