cyclopentane; iron(2+); (2-methylcyclopentyl)-[2-(4-methylphenyl)sulfanylcyclopentyl]methanone

Systemtic Name: cyclopentane; iron(2+); (2-methylcyclopentyl)-[2-(4-methylphenyl)sulfanylcyclopentyl]methanone Openeye Name: diferrous; cyclopentane; (2-methylcyclopentyl)-[2-(p-tolylsulfanyl)cyclopentyl]methanone CAS Name: cyclopentane; iron(2+); (2-methylcyclopentyl)-[2-[(4-methylphenyl)thio]cyclopentyl]methanone IUPAC Name: cyclopentane; iron(2+); (2-methylcyclopentyl)-[2-(4-methylphenyl)sulfanylcyclopentyl]methanone Traditional Name: diferrous; cyclopentane; (2-methylcyclopentyl)-[2-(p-tolylthio)cyclopentyl]methanone Formula: C29H26Fe2OS+4 MolecularWeight: 534.27114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S[C]2[CH][CH][CH][C]2C(=O)[C]3[CH][CH][CH][C]3C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)S[C]2[CH][CH][CH][C]2C(=O)[C]3[CH][CH][CH][C]3C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C19H16OS.2C5H5.2Fe/c1-13-9-11-15(12-10-13)21-18-8-4-7-17(18)19(20)16-6-3-5-14(16)2;2*1-2-4-5-3-1;;/h3-12H,1-2H3;2*1-5H;;/q;;;2*+2