cyclopentane; di(propan-2-yl)carbamic acid; hex-1-ene; zirconium(3+)

Systemtic Name: cyclopentane; di(propan-2-yl)carbamic acid; hex-1-ene; zirconium(3+) Openeye Name: cyclopentane; diisopropylcarbamic acid; hex-1-ene; zirconium(3+) CAS Name: cyclopentane; di(propan-2-yl)carbamic acid; 1-hexene; zirconium(3+) IUPAC Name: cyclopentane; di(propan-2-yl)carbamic acid; hex-1-ene; zirconium(3+) Traditional Name: cyclopentane; diisopropylcarbamic acid; hex-1-ene; zirconium(3+) Formula: C23H36NO2Zr+2 MolecularWeight: 449.76144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=[CH-].CC(C)N(C(C)C)C(=O)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

Isomeric SMILES

CCCCC=[CH-].CC(C)N(C(C)C)C(=O)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

InChI

InChI=1S/C7H15NO2.C6H11.2C5H5.Zr/c1-5(2)8(6(3)4)7(9)10;1-3-5-6-4-2;2*1-2-4-5-3-1;/h5-6H,1-4H3,(H,9,10);1,3H,4-6H2,2H3;2*1-5H;/q;-1;;;+3