tert-butylcyclopentane; methoxybenzene; zirconium(4+)

Systemtic Name: tert-butylcyclopentane; methoxybenzene; zirconium(4+) Openeye Name: tert-butylcyclopentane; methoxybenzene; zirconium(4+) CAS Name: tert-butylcyclopentane; methoxybenzene; zirconium(4+) IUPAC Name: tert-butylcyclopentane; methoxybenzene; zirconium(4+) Traditional Name: tert-butylcyclopentane; methoxybenzene; zirconium(4+) Formula: C32H40O2Zr+2 MolecularWeight: 547.8828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C]1[CH][CH][CH][CH]1.CC(C)(C)[C]1[CH][CH][CH][CH]1.COC1=CC=[C-]C=C1.COC1=CC=[C-]C=C1.[Zr+4]

Isomeric SMILES

CC(C)(C)[C]1[CH][CH][CH][CH]1.CC(C)(C)[C]1[CH][CH][CH][CH]1.COC1=CC=[C-]C=C1.COC1=CC=[C-]C=C1.[Zr+4]

InChI

InChI=1S/2C9H13.2C7H7O.Zr/c2*1-9(2,3)8-6-4-5-7-8;2*1-8-7-5-3-2-4-6-7;/h2*4-7H,1-3H3;2*3-6H,1H3;/q;;2*-1;+4