cyclopentane; 6-cyclopentyl-4-methylsulfanyl-2-oxidanylidene-pyran-3-carbonitrile; iron(2+)

Systemtic Name: cyclopentane; 6-cyclopentyl-4-methylsulfanyl-2-oxidanylidene-pyran-3-carbonitrile; iron(2+) Openeye Name: ferrous; cyclopentane; 6-cyclopentyl-4-methylsulfanyl-2-oxo-pyran-3-carbonitrile CAS Name: cyclopentane; 6-cyclopentyl-4-(methylthio)-2-oxo-3-pyrancarbonitrile; iron(2+) IUPAC Name: cyclopentane; 6-cyclopentyl-4-methylsulfanyl-2-oxopyran-3-carbonitrile; iron(2+) Traditional Name: ferrous; cyclopentane; 6-cyclopentyl-2-keto-4-(methylthio)pyran-3-carbonitrile Formula: C17H13FeNO2S+2 MolecularWeight: 351.20062

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)OC(=C1)[C]2[CH][CH][CH][CH]2)C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CSC1=C(C(=O)OC(=C1)[C]2[CH][CH][CH][CH]2)C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C12H8NO2S.C5H5.Fe/c1-16-11-6-10(8-4-2-3-5-8)15-12(14)9(11)7-13;1-2-4-5-3-1;/h2-6H,1H3;1-5H;/q;;+2