butane; cyclopenta-1,3-diene; zirconium(2+); trichloride

Systemtic Name: butane; cyclopenta-1,3-diene; zirconium(2+); trichloride Openeye Name: butane; cyclopenta-1,3-diene; zirconium(2+); trichloride CAS Name: butane; cyclopenta-1,3-diene; zirconium(2+); trichloride IUPAC Name: butane; cyclopenta-1,3-diene; zirconium(2+); trichloride Traditional Name: butane; cyclopenta-1,3-diene; zirconium(2+); trichloride Formula: C27H42Cl3Zr3-3 MolecularWeight: 746.65338

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CCC[CH2-].C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CCC[CH2-].C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C5H5.3C4H9.3ClH.3Zr/c3*1-2-4-5-3-1;3*1-3-4-2;;;;;;/h3*1-3H,4H2;3*1,3-4H2,2H3;3*1H;;;/q6*-1;;;;3*+2/p-3