cyclopentane; [(3E)-3-cyclopentyl-4-methylsulfanyl-4-nitro-buta-1,3-dien-2-yl]cyclopentane; iron(2+)

Systemtic Name: cyclopentane; [(3E)-3-cyclopentyl-4-methylsulfanyl-4-nitro-buta-1,3-dien-2-yl]cyclopentane; iron(2+) Openeye Name: diferrous; cyclopentane; [(E)-2-cyclopentyl-1-methylene-3-methylsulfanyl-3-nitro-allyl]cyclopentane CAS Name: cyclopentane; [(3E)-3-cyclopentyl-4-(methylthio)-4-nitrobuta-1,3-dien-2-yl]cyclopentane; iron(2+) IUPAC Name: cyclopentane; [(3E)-3-cyclopentyl-4-methylsulfanyl-4-nitrobuta-1,3-dien-2-yl]cyclopentane; iron(2+) Traditional Name: diferrous; cyclopentane; [(E)-2-cyclopentyl-1-methylene-3-(methylthio)-3-nitro-allyl]cyclopentane Formula: C25H23Fe2NO2S+4 MolecularWeight: 513.21062

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C([C]1[CH][CH][CH][CH]1)C(=C)[C]2[CH][CH][CH][CH]2)[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

CS/C(=C(\[C]1[CH][CH][CH][CH]1)/C(=C)[C]2[CH][CH][CH][CH]2)/[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C15H13NO2S.2C5H5.2Fe/c1-11(12-7-3-4-8-12)14(13-9-5-6-10-13)15(19-2)16(17)18;2*1-2-4-5-3-1;;/h3-10H,1H2,2H3;2*1-5H;;/q;;;2*+2