cyclopentane; 3,4-di(cyclopentyl)-2-ethanoyl-5-methylsulfanyl-cyclopenta-2,4-dien-1-one; iron(2+)

Systemtic Name: cyclopentane; 3,4-di(cyclopentyl)-2-ethanoyl-5-methylsulfanyl-cyclopenta-2,4-dien-1-one; iron(2+) Openeye Name: diferrous; 2-acetyl-3,4-di(cyclopentyl)-5-methylsulfanyl-cyclopenta-2,4-dien-1-one; cyclopentane CAS Name: 2-acetyl-3,4-di(cyclopentyl)-5-(methylthio)-1-cyclopenta-2,4-dienone; cyclopentane; iron(2+) IUPAC Name: 2-acetyl-3,4-di(cyclopentyl)-5-methylsulfanylcyclopenta-2,4-dien-1-one; cyclopentane; iron(2+) Traditional Name: diferrous; 2-acetyl-3,4-di(cyclopentyl)-5-(methylthio)cyclopenta-2,4-dien-1-one; cyclopentane Formula: C28H24Fe2O2S+4 MolecularWeight: 536.24396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C1=O)SC)[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

CC(=O)C1=C(C(=C(C1=O)SC)[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C18H14O2S.2C5H5.2Fe/c1-11(19)14-15(12-7-3-4-8-12)16(13-9-5-6-10-13)18(21-2)17(14)20;2*1-2-4-5-3-1;;/h3-10H,1-2H3;2*1-5H;;/q;;;2*+2