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

Systemtic Name: cyclopentane; di(propan-2-yl)carbamic acid; undec-1-ene; zirconium(3+) Openeye Name: cyclopentane; diisopropylcarbamic acid; undec-1-ene; zirconium(3+) CAS Name: cyclopentane; di(propan-2-yl)carbamic acid; 1-undecene; zirconium(3+) IUPAC Name: cyclopentane; di(propan-2-yl)carbamic acid; undec-1-ene; zirconium(3+) Traditional Name: cyclopentane; diisopropylcarbamic acid; undec-1-ene; zirconium(3+) Formula: C28H46NO2Zr+2 MolecularWeight: 519.89434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=[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

CCCCCCCCCC=[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/C11H21.C7H15NO2.2C5H5.Zr/c1-3-5-7-9-11-10-8-6-4-2;1-5(2)8(6(3)4)7(9)10;2*1-2-4-5-3-1;/h1,3H,4-11H2,2H3;5-6H,1-4H3,(H,9,10);2*1-5H;/q-1;;;;+3