cyclopentane; [2-(diphenylmethyl)cyclopentyl]-(2-methylsulfanylcyclopentyl)methanone; iron(2+)

Systemtic Name: cyclopentane; [2-(diphenylmethyl)cyclopentyl]-(2-methylsulfanylcyclopentyl)methanone; iron(2+) Openeye Name: diferrous; (2-benzhydrylcyclopentyl)-(2-methylsulfanylcyclopentyl)methanone; cyclopentane CAS Name: cyclopentane; [2-(diphenylmethyl)cyclopentyl]-[2-(methylthio)cyclopentyl]methanone; iron(2+) IUPAC Name: (2-benzhydrylcyclopentyl)-(2-methylsulfanylcyclopentyl)methanone; cyclopentane; iron(2+) Traditional Name: diferrous; (2-benzhydrylcyclopentyl)-[2-(methylthio)cyclopentyl]methanone; cyclopentane Formula: C35H30Fe2OS+4 MolecularWeight: 610.3671

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Descriptors Computed from Structure

Canonical SMILES:

CS[C]1[CH][CH][CH][C]1C(=O)[C]2[CH][CH][CH][C]2C(C3=CC=CC=C3)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

CS[C]1[CH][CH][CH][C]1C(=O)[C]2[CH][CH][CH][C]2C(C3=CC=CC=C3)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C25H20OS.2C5H5.2Fe/c1-27-23-17-9-16-22(23)25(26)21-15-8-14-20(21)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19;2*1-2-4-5-3-1;;/h2-17,24H,1H3;2*1-5H;;/q;;;2*+2