cyclopentane; iron(2+); (4-nitrophenyl)methyl (E)-N-ethoxycarbonylcyclopentanecarboximidothioate

Systemtic Name: cyclopentane; iron(2+); (4-nitrophenyl)methyl (E)-N-ethoxycarbonylcyclopentanecarboximidothioate Openeye Name: ferrous; cyclopentane; (4-nitrophenyl)methyl (E)-N-ethoxycarbonylcyclopentanecarboximidothioate CAS Name: cyclopentane; (E)-N-ethoxycarbonylcyclopentanecarboximidothioic acid (4-nitrophenyl)methyl ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); (4-nitrophenyl)methyl (E)-N-ethoxycarbonylcyclopentanecarboximidothioate Traditional Name: ferrous; (E)-N-carbethoxycyclopentanecarboximidothioic acid (4-nitrobenzyl) ester; cyclopentane Formula: C21H20FeN2O4S+2 MolecularWeight: 452.3045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C([C]1[CH][CH][CH][CH]1)SCC2=CC=C(C=C2)[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCOC(=O)/N=C(\[C]1[CH][CH][CH][CH]1)/SCC2=CC=C(C=C2)[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H15N2O4S.C5H5.Fe/c1-2-22-16(19)17-15(13-5-3-4-6-13)23-11-12-7-9-14(10-8-12)18(20)21;1-2-4-5-3-1;/h3-10H,2,11H2,1H3;1-5H;/q;;+2