ethane; 2-methyl-1H-inden-1-ide; phosphane; zirconium(3+); trichloride

Systemtic Name: ethane; 2-methyl-1H-inden-1-ide; phosphane; zirconium(3+); trichloride Openeye Name: ethane; 2-methyl-1H-inden-1-ide; phosphane; zirconium(3+); trichloride CAS Name: ethane; 2-methyl-1H-inden-1-ide; phosphine; zirconium(3+); trichloride IUPAC Name: ethane; 2-methyl-1H-inden-1-ide; phosphane; zirconium(3+); trichloride Traditional Name: ethane; 2-methyl-1H-inden-1-ide; phosphine; zirconium(3+); trichloride Formula: C42H66Cl3P3Zr3-3 MolecularWeight: 1043.925723

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.P.P.P.[Cl-].[Cl-].[Cl-].[Zr+3].[Zr+3].[Zr+3]

Isomeric SMILES

C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].C[CH2-].CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.P.P.P.[Cl-].[Cl-].[Cl-].[Zr+3].[Zr+3].[Zr+3]

InChI

InChI=1S/3C10H9.6C2H5.3ClH.3H3P.3Zr/c3*1-8-6-9-4-2-3-5-10(9)7-8;6*1-2;;;;;;;;;/h3*2-7H,1H3;6*1H2,2H3;3*1H;3*1H3;;;/q9*-1;;;;;;;3*+3/p-3