1-cyclopentyl-N-[(1R,2R)-2-(cyclopentylmethylideneamino)cyclohexyl]methanimine; iron(2+)

Systemtic Name: 1-cyclopentyl-N-[(1R,2R)-2-(cyclopentylmethylideneamino)cyclohexyl]methanimine; iron(2+) Openeye Name: triferrous 1-cyclopentyl-N-[(1R,2R)-2-(cyclopentylmethyleneamino)cyclohexyl]methanimine CAS Name: 1-cyclopentyl-N-[(1R,2R)-2-(cyclopentylmethylideneamino)cyclohexyl]methanimine; iron(2+) IUPAC Name: 1-cyclopentyl-N-[(1R,2R)-2-(cyclopentylmethylideneamino)cyclohexyl]methanimine; iron(2+) Traditional Name: triferrous cyclopentylmethylene-[(1R,2R)-2-(cyclopentylmethyleneamino)cyclohexyl]amine Formula: C54H60Fe3N6+6 MolecularWeight: 960.6294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N=C[C]2[CH][CH][CH][CH]2)N=C[C]3[CH][CH][CH][CH]3.C1CCC(C(C1)N=C[C]2[CH][CH][CH][CH]2)N=C[C]3[CH][CH][CH][CH]3.C1CCC(C(C1)N=C[C]2[CH][CH][CH][CH]2)N=C[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)N=C[C]2[CH][CH][CH][CH]2)N=C[C]3[CH][CH][CH][CH]3.C1CC[C@H]([C@@H](C1)N=C[C]2[CH][CH][CH][CH]2)N=C[C]3[CH][CH][CH][CH]3.C1CC[C@H]([C@@H](C1)N=C[C]2[CH][CH][CH][CH]2)N=C[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/3C18H20N2.3Fe/c3*1-2-8-15(7-1)13-19-17-11-5-6-12-18(17)20-14-16-9-3-4-10-16;;;/h3*1-4,7-10,13-14,17-18H,5-6,11-12H2;;;/q;;;3*+2/t3*17-,18-;;;/m111.../s1