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

Systemtic Name: dimethyl 2-(1-cyclopentylethylidene)-1,3-dithiole-4,5-dicarboxylate; iron(2+) Openeye Name: ferrous dimethyl 2-(1-cyclopentylethylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(1-cyclopentylethylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester; iron(2+) IUPAC Name: dimethyl 2-(1-cyclopentylethylidene)-1,3-dithiole-4,5-dicarboxylate; iron(2+) Traditional Name: ferrous 2-(1-cyclopentylethylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C28H26FeO8S4+2 MolecularWeight: 674.60624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1SC(=C(S1)C(=O)OC)C(=O)OC)[C]2[CH][CH][CH][CH]2.CC(=C1SC(=C(S1)C(=O)OC)C(=O)OC)[C]2[CH][CH][CH][CH]2.[Fe+2]

Isomeric SMILES

CC(=C1SC(=C(S1)C(=O)OC)C(=O)OC)[C]2[CH][CH][CH][CH]2.CC(=C1SC(=C(S1)C(=O)OC)C(=O)OC)[C]2[CH][CH][CH][CH]2.[Fe+2]

InChI

InChI=1S/2C14H13O4S2.Fe/c2*1-8(9-6-4-5-7-9)14-19-10(12(15)17-2)11(20-14)13(16)18-3;/h2*4-7H,1-3H3;/q;;+2