cyclopentane; iron(2+); 1,2,4-tri(cyclopentyl)benzene

Systemtic Name: cyclopentane; iron(2+); 1,2,4-tri(cyclopentyl)benzene Openeye Name: triferrous; cyclopentane; 1,2,4-tri(cyclopentyl)benzene CAS Name: cyclopentane; iron(2+); 1,2,4-tri(cyclopentyl)benzene IUPAC Name: cyclopentane; iron(2+); 1,2,4-tri(cyclopentyl)benzene Traditional Name: triferrous; cyclopentane; 1,2,4-tri(cyclopentyl)benzene Formula: C36H30Fe3+6 MolecularWeight: 630.1584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC(=C(C=C1[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/C21H15.3C5H5.3Fe/c1-2-8-16(7-1)19-13-14-20(17-9-3-4-10-17)21(15-19)18-11-5-6-12-18;3*1-2-4-5-3-1;;;/h1-15H;3*1-5H;;;/q;;;;3*+2