carbanide; 1H-inden-1-ide; phosphane; zirconium(3+); trichloride

Systemtic Name: carbanide; 1H-inden-1-ide; phosphane; zirconium(3+); trichloride Openeye Name: carbanide; 1H-inden-1-ide; phosphane; zirconium(3+); trichloride CAS Name: carbanide; 1H-inden-1-ide; phosphine; zirconium(3+); trichloride IUPAC Name: carbanide; 1H-inden-1-ide; phosphane; zirconium(3+); trichloride Traditional Name: carbanide; 1H-inden-1-ide; phosphine; zirconium(3+); trichloride Formula: C33H48Cl3P3Zr3-3 MolecularWeight: 917.686503

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.P.P.P.[Cl-].[Cl-].[Cl-].[Zr+3].[Zr+3].[Zr+3]

Isomeric SMILES

[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.P.P.P.[Cl-].[Cl-].[Cl-].[Zr+3].[Zr+3].[Zr+3]

InChI

InChI=1S/3C9H7.6CH3.3ClH.3H3P.3Zr/c3*1-2-5-9-7-3-6-8(9)4-1;;;;;;;;;;;;;;;/h3*1-7H;6*1H3;3*1H;3*1H3;;;/q9*-1;;;;;;;3*+3/p-3