cyclopentane; iron(2+); 1,3,5-tris[(E)-2-cyclopentylethenyl]benzene

Systemtic Name: cyclopentane; iron(2+); 1,3,5-tris[(E)-2-cyclopentylethenyl]benzene Openeye Name: triferrous; cyclopentane; 1,3,5-tris[(E)-2-cyclopentylvinyl]benzene CAS Name: cyclopentane; iron(2+); 1,3,5-tris[(E)-2-cyclopentylethenyl]benzene IUPAC Name: cyclopentane; iron(2+); 1,3,5-tris[(E)-2-cyclopentylethenyl]benzene Traditional Name: triferrous; cyclopentane; 1,3,5-tris[(E)-2-cyclopentylvinyl]benzene Formula: C42H36Fe3+6 MolecularWeight: 708.27024

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Descriptors Computed from Structure

Canonical SMILES:

[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][C]([CH]1)C=CC2=CC(=CC(=C2)C=C[C]3[CH][CH][CH][CH]3)C=C[C]4[CH][CH][CH][CH]4.[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][C]([CH][CH]1)/C=C/C2=CC(=CC(=C2)/C=C/[C]3[CH][CH][CH][CH]3)/C=C/[C]4[CH][CH][CH][CH]4.[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/C27H21.3C5H5.3Fe/c1-2-8-22(7-1)13-16-25-19-26(17-14-23-9-3-4-10-23)21-27(20-25)18-15-24-11-5-6-12-24;3*1-2-4-5-3-1;;;/h1-21H;3*1-5H;;;/q;;;;3*+2