1,4-bis(2-ethylhex-1-enyl)benzene; cyclopentane; zirconium(4+)

Systemtic Name: 1,4-bis(2-ethylhex-1-enyl)benzene; cyclopentane; zirconium(4+) Openeye Name: 1,4-bis(2-ethylhex-1-enyl)benzene; cyclopentane; zirconium(4+) CAS Name: 1,4-bis(2-ethylhex-1-enyl)benzene; cyclopentane; zirconium(4+) IUPAC Name: 1,4-bis(2-ethylhex-1-enyl)benzene; cyclopentane; zirconium(4+) Traditional Name: 1,4-bis(2-ethylhex-1-enyl)benzene; cyclopentane; zirconium(4+) Formula: C42H50Zr2+4 MolecularWeight: 737.2944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=[C-]C1=CC=C(C=C1)[C-]=C(C[CH2-])CCCC)C[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4].[Zr+4]

Isomeric SMILES

CCCCC(=[C-]C1=CC=C(C=C1)[C-]=C(C[CH2-])CCCC)C[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4].[Zr+4]

InChI

InChI=1S/C22H30.4C5H5.2Zr/c1-5-9-11-19(7-3)17-21-13-15-22(16-14-21)18-20(8-4)12-10-6-2;4*1-2-4-5-3-1;;/h13-16H,3-12H2,1-2H3;4*1-5H;;/q-4;;;;;2*+4