(E)-but-2-ene; cyclopentane; 2,4-dimethylpentan-3-ol; zirconium(3+)

Systemtic Name: (E)-but-2-ene; cyclopentane; 2,4-dimethylpentan-3-ol; zirconium(3+) Openeye Name: (E)-but-2-ene; cyclopentane; 2,4-dimethylpentan-3-ol; zirconium(3+) CAS Name: (E)-2-butene; cyclopentane; 2,4-dimethyl-3-pentanol; zirconium(3+) IUPAC Name: (E)-but-2-ene; cyclopentane; 2,4-dimethylpentan-3-ol; zirconium(3+) Traditional Name: (E)-but-2-ene; cyclopentane; 2,4-dimethylpentan-3-ol; zirconium(3+) Formula: C21H33OZr+2 MolecularWeight: 392.71012

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Descriptors Computed from Structure

Canonical SMILES:

CC=C[CH2-].CC(C)C(C(C)C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

Isomeric SMILES

C/C=C/[CH2-].CC(C)C(C(C)C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

InChI

InChI=1S/C7H16O.2C5H5.C4H7.Zr/c1-5(2)7(8)6(3)4;2*1-2-4-5-3-1;1-3-4-2;/h5-8H,1-4H3;2*1-5H;3-4H,1H2,2H3;/q;;;-1;+3/b;;;4-3+;