dimethyl 2-(cyclopentylmethylidene)-1,3-dithiole-4,5-dicarboxylate; iron(2+)

Systemtic Name: dimethyl 2-(cyclopentylmethylidene)-1,3-dithiole-4,5-dicarboxylate; iron(2+) Openeye Name: ferrous dimethyl 2-(cyclopentylmethylene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(cyclopentylmethylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester; iron(2+) IUPAC Name: dimethyl 2-(cyclopentylmethylidene)-1,3-dithiole-4,5-dicarboxylate; iron(2+) Traditional Name: ferrous 2-(cyclopentylmethylene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C26H22FeO8S4+2 MolecularWeight: 646.55308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C[C]2[CH][CH][CH][CH]2)S1)C(=O)OC.COC(=O)C1=C(SC(=C[C]2[CH][CH][CH][CH]2)S1)C(=O)OC.[Fe+2]

Isomeric SMILES

COC(=O)C1=C(SC(=C[C]2[CH][CH][CH][CH]2)S1)C(=O)OC.COC(=O)C1=C(SC(=C[C]2[CH][CH][CH][CH]2)S1)C(=O)OC.[Fe+2]

InChI

InChI=1S/2C13H11O4S2.Fe/c2*1-16-12(14)10-11(13(15)17-2)19-9(18-10)7-8-5-3-4-6-8;/h2*3-7H,1-2H3;/q;;+2