cyclopentane; iron(2+); N-(2-methyl-1-oxidanyl-propan-2-yl)-2-phenylsulfanyl-cyclopentane-1-carboxamide

Systemtic Name: cyclopentane; iron(2+); N-(2-methyl-1-oxidanyl-propan-2-yl)-2-phenylsulfanyl-cyclopentane-1-carboxamide Openeye Name: ferrous; cyclopentane; N-(2-hydroxy-1,1-dimethyl-ethyl)-2-phenylsulfanyl-cyclopentanecarboxamide CAS Name: cyclopentane; N-(1-hydroxy-2-methylpropan-2-yl)-2-(phenylthio)-1-cyclopentanecarboxamide; iron(2+) IUPAC Name: cyclopentane; N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylsulfanylcyclopentane-1-carboxamide; iron(2+) Traditional Name: ferrous; cyclopentane; N-(2-hydroxy-1,1-dimethyl-ethyl)-2-(phenylthio)cyclopentanecarboxamide Formula: C21H23FeNO2S+2 MolecularWeight: 409.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(=O)[C]1[CH][CH][CH][C]1SC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)(CO)NC(=O)[C]1[CH][CH][CH][C]1SC2=CC=CC=C2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H18NO2S.C5H5.Fe/c1-16(2,11-18)17-15(19)13-9-6-10-14(13)20-12-7-4-3-5-8-12;1-2-4-5-3-1;/h3-10,18H,11H2,1-2H3,(H,17,19);1-5H;/q;;+2