2,5-bis(2-ethylhex-1-enyl)thiophene; cyclopentane; zirconium(4+)

Systemtic Name: 2,5-bis(2-ethylhex-1-enyl)thiophene; cyclopentane; zirconium(4+) Openeye Name: 2,5-bis(2-ethylhex-1-enyl)thiophene; cyclopentane; zirconium(4+) CAS Name: 2,5-bis(2-ethylhex-1-enyl)thiophene; cyclopentane; zirconium(4+) IUPAC Name: 2,5-bis(2-ethylhex-1-enyl)thiophene; cyclopentane; zirconium(4+) Traditional Name: 2,5-bis(2-ethylhex-1-enyl)thiophene; cyclopentane; zirconium(4+) Formula: C40H48SZr2+4 MolecularWeight: 743.32212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=[C-]C1=CC=C(S1)[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(S1)[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/C20H28S.4C5H5.2Zr/c1-5-9-11-17(7-3)15-19-13-14-20(21-19)16-18(8-4)12-10-6-2;4*1-2-4-5-3-1;;/h13-14H,3-12H2,1-2H3;4*1-5H;;/q-4;;;;;2*+4