cyclopentane; hexane; 2-methylbut-3-en-1-ol; zirconium; perchlorate

Systemtic Name: cyclopentane; hexane; 2-methylbut-3-en-1-ol; zirconium; perchlorate Openeye Name: cyclopentane; hexane; 2-methylbut-3-en-1-ol; zirconium; perchlorate CAS Name: cyclopentane; hexane; 2-methyl-3-buten-1-ol; zirconium; perchlorate IUPAC Name: cyclopentane; hexane; 2-methylbut-3-en-1-ol; zirconium; perchlorate Traditional Name: cyclopentane; hexane; 2-methylbut-3-en-1-ol; zirconium; perchlorate Formula: C21H32ClO5Zr- MolecularWeight: 491.15278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[CH2-].C[C+](CO)C=C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[O-]Cl(=O)(=O)=O.[Zr]

Isomeric SMILES

CCCCC[CH2-].C[C+](CO)C=C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[O-]Cl(=O)(=O)=O.[Zr]

InChI

InChI=1S/C6H13.C5H9O.2C5H5.ClHO4.Zr/c1-3-5-6-4-2;1-3-5(2)4-6;2*1-2-4-5-3-1;2-1(3,4)5;/h1,3-6H2,2H3;3,6H,1,4H2,2H3;2*1-5H;(H,2,3,4,5);/q-1;+1;;;;/p-1