cyclopentane; iron(2+); methyl 2-tert-butylsulfanylcyclopentane-1-carboxylate

Systemtic Name: cyclopentane; iron(2+); methyl 2-tert-butylsulfanylcyclopentane-1-carboxylate Openeye Name: ferrous; cyclopentane; methyl 2-tert-butylsulfanylcyclopentanecarboxylate CAS Name: 2-(tert-butylthio)-1-cyclopentanecarboxylic acid methyl ester; cyclopentane; iron(2+) IUPAC Name: cyclopentane; iron(2+); methyl 2-tert-butylsulfanylcyclopentane-1-carboxylate Traditional Name: ferrous; 2-(tert-butylthio)cyclopentanecarboxylic acid methyl ester; cyclopentane Formula: C16H20FeO2S+2 MolecularWeight: 332.2388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S[C]1[CH][CH][CH][C]1C(=O)OC.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)(C)S[C]1[CH][CH][CH][C]1C(=O)OC.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C11H15O2S.C5H5.Fe/c1-11(2,3)14-9-7-5-6-8(9)10(12)13-4;1-2-4-5-3-1;/h5-7H,1-4H3;1-5H;/q;;+2