cyclopentane; iron(2+); methyl 3-cyclopentyl-5-methylidene-2-oxidanylidene-oxane-3-carboxylate

Systemtic Name: cyclopentane; iron(2+); methyl 3-cyclopentyl-5-methylidene-2-oxidanylidene-oxane-3-carboxylate Openeye Name: ferrous; cyclopentane; methyl 3-cyclopentyl-5-methylene-2-oxo-tetrahydropyran-3-carboxylate CAS Name: cyclopentane; 3-cyclopentyl-5-methylene-2-oxo-3-oxanecarboxylic acid methyl ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); methyl 3-cyclopentyl-5-methylidene-2-oxooxane-3-carboxylate Traditional Name: ferrous; cyclopentane; 3-cyclopentyl-2-keto-5-methylene-tetrahydropyran-3-carboxylic acid methyl ester Formula: C18H18FeO4+2 MolecularWeight: 354.17812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=C)COC1=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC(=O)C1(CC(=C)COC1=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C13H13O4.C5H5.Fe/c1-9-7-13(11(14)16-2,12(15)17-8-9)10-5-3-4-6-10;1-2-4-5-3-1;/h3-6H,1,7-8H2,2H3;1-5H;/q;;+2