cyclopentane; iron(2+); [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methanoylcyclopentane-1-sulfonate

Systemtic Name: cyclopentane; iron(2+); [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methanoylcyclopentane-1-sulfonate Openeye Name: ferrous; cyclopentane; [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-formylcyclopentanesulfonate CAS Name: cyclopentane; 2-formyl-1-cyclopentanesulfonic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-formylcyclopentane-1-sulfonate Traditional Name: ferrous; cyclopentane; 2-formylcyclopentanesulfonic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H28FeO4S+2 MolecularWeight: 432.35462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OS(=O)(=O)[C]2[CH][CH][CH][C]2C=O)C(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OS(=O)(=O)[C]2[CH][CH][CH][C]2C=O)C(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H23O4S.C5H5.Fe/c1-11(2)14-8-7-12(3)9-15(14)20-21(18,19)16-6-4-5-13(16)10-17;1-2-4-5-3-1;/h4-6,10-12,14-15H,7-9H2,1-3H3;1-5H;/q;;+2/t12-,14+,15-;;/m1../s1