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

Systemtic Name: butane; cyclopenta-1,3-diene; zirconium(3+); dichloride Openeye Name: butane; cyclopenta-1,3-diene; zirconium(3+); dichloride CAS Name: butane; cyclopenta-1,3-diene; zirconium(3+); dichloride IUPAC Name: butane; cyclopenta-1,3-diene; zirconium(3+); dichloride Traditional Name: butane; cyclopenta-1,3-diene; zirconium(3+); dichloride Formula: C28H38Cl2Zr2-2 MolecularWeight: 627.95532

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+3].[Zr+3]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+3].[Zr+3]

InChI

InChI=1S/4C5H5.2C4H9.2ClH.2Zr/c4*1-2-4-5-3-1;2*1-3-4-2;;;;/h4*1-3H,4H2;2*1,3-4H2,2H3;2*1H;;/q6*-1;;;2*+3/p-2