butane; 1,3-dimethylcyclopentane; zirconium(4+)

Systemtic Name: butane; 1,3-dimethylcyclopentane; zirconium(4+) Openeye Name: butane; 1,3-dimethylcyclopentane; zirconium(4+) CAS Name: butane; 1,3-dimethylcyclopentane; zirconium(4+) IUPAC Name: butane; 1,3-dimethylcyclopentane; zirconium(4+) Traditional Name: butane; 1,3-dimethylcyclopentane; zirconium(4+) Formula: C22H46Zr+2 MolecularWeight: 401.82464

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CC1CCC(C1)C.CC1CCC(C1)C.[Zr+4]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CC1CCC(C1)C.CC1CCC(C1)C.[Zr+4]

InChI

InChI=1S/2C7H14.2C4H9.Zr/c2*1-6-3-4-7(2)5-6;2*1-3-4-2;/h2*6-7H,3-5H2,1-2H3;2*1,3-4H2,2H3;/q;;2*-1;+4