cyclopentane; iron(2+); 1,2,3,4,5-penta(cyclopentyl)benzene

Systemtic Name: cyclopentane; iron(2+); 1,2,3,4,5-penta(cyclopentyl)benzene Openeye Name: pentaferrous; cyclopentane; 1,2,3,4,5-penta(cyclopentyl)benzene CAS Name: cyclopentane; iron(2+); 1,2,3,4,5-penta(cyclopentyl)benzene IUPAC Name: cyclopentane; iron(2+); 1,2,3,4,5-penta(cyclopentyl)benzene Traditional Name: pentaferrous; cyclopentane; 1,2,3,4,5-penta(cyclopentyl)benzene Formula: C56H46Fe5+10 MolecularWeight: 998.18944

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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][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C2=CC(=C(C(=C2[C]3[CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH]4)[C]5[CH][CH][CH][CH]5)[C]6[CH][CH][CH][CH]6.[Fe+2].[Fe+2].[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][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C2=CC(=C(C(=C2[C]3[CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH]4)[C]5[CH][CH][CH][CH]5)[C]6[CH][CH][CH][CH]6.[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/C31H21.5C5H5.5Fe/c1-2-12-22(11-1)27-21-28(23-13-3-4-14-23)30(25-17-7-8-18-25)31(26-19-9-10-20-26)29(27)24-15-5-6-16-24;5*1-2-4-5-3-1;;;;;/h1-21H;5*1-5H;;;;;/q;;;;;;5*+2