iron(2+); [(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butyl] 2-bromanylcyclopentane-1-carboxylate

Systemtic Name: iron(2+); [(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butyl] 2-bromanylcyclopentane-1-carboxylate Openeye Name: ferrous [(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butyl] 2-bromocyclopentanecarboxylate CAS Name: 2-bromo-1-cyclopentanecarboxylic acid [(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butyl] ester; iron(2+) IUPAC Name: iron(2+); [(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butyl] 2-bromocyclopentane-1-carboxylate Traditional Name: ferrous 2-bromocyclopentanecarboxylic acid [(2S)-3-methyl-2-(triflylamino)butyl] ester Formula: C24H28Br2F6FeN2O8S2+2 MolecularWeight: 866.261139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC(=O)[C]1[CH][CH][CH][C]1Br)NS(=O)(=O)C(F)(F)F.CC(C)C(COC(=O)[C]1[CH][CH][CH][C]1Br)NS(=O)(=O)C(F)(F)F.[Fe+2]

Isomeric SMILES

CC(C)[C@@H](COC(=O)[C]1[CH][CH][CH][C]1Br)NS(=O)(=O)C(F)(F)F.CC(C)[C@@H](COC(=O)[C]1[CH][CH][CH][C]1Br)NS(=O)(=O)C(F)(F)F.[Fe+2]

InChI

InChI=1S/2C12H14BrF3NO4S.Fe/c2*1-7(2)10(17-22(19,20)12(14,15)16)6-21-11(18)8-4-3-5-9(8)13;/h2*3-5,7,10,17H,6H2,1-2H3;/q;;+2/t2*10-;/m11./s1