cyclopentane; ethyl 2,3-di(cyclopentyl)-4-methylsulfanyl-5-oxidanylidene-cyclopenta-1,3-diene-1-carboxylate; iron(2+)

Systemtic Name: cyclopentane; ethyl 2,3-di(cyclopentyl)-4-methylsulfanyl-5-oxidanylidene-cyclopenta-1,3-diene-1-carboxylate; iron(2+) Openeye Name: diferrous; cyclopentane; ethyl 2,3-di(cyclopentyl)-4-methylsulfanyl-5-oxo-cyclopenta-1,3-diene-1-carboxylate CAS Name: cyclopentane; 2,3-di(cyclopentyl)-4-(methylthio)-5-oxo-1-cyclopenta-1,3-dienecarboxylic acid ethyl ester; iron(2+) IUPAC Name: cyclopentane; ethyl 2,3-di(cyclopentyl)-4-methylsulfanyl-5-oxocyclopenta-1,3-diene-1-carboxylate; iron(2+) Traditional Name: diferrous; cyclopentane; 2,3-di(cyclopentyl)-5-keto-4-(methylthio)cyclopenta-1,3-diene-1-carboxylic acid ethyl ester Formula: C29H26Fe2O3S+4 MolecularWeight: 566.26994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C19H16O3S.2C5H5.2Fe/c1-3-22-19(21)16-14(12-8-4-5-9-12)15(13-10-6-7-11-13)18(23-2)17(16)20;2*1-2-4-5-3-1;;/h4-11H,3H2,1-2H3;2*1-5H;;/q;;;2*+2