cyclopenta-1,3-diene; iron(2+); methyl 7-oxidanylidene-1,4,5,6-tetrahydroinden-1-ide-5-carboxylate

Systemtic Name: cyclopenta-1,3-diene; iron(2+); methyl 7-oxidanylidene-1,4,5,6-tetrahydroinden-1-ide-5-carboxylate Openeye Name: ferrous; cyclopenta-1,3-diene; methyl 7-oxo-1,4,5,6-tetrahydroinden-1-ide-5-carboxylate CAS Name: cyclopenta-1,3-diene; iron(2+); 7-oxo-1,4,5,6-tetrahydroinden-1-ide-5-carboxylic acid methyl ester IUPAC Name: cyclopenta-1,3-diene; iron(2+); methyl 7-oxo-1,4,5,6-tetrahydroinden-1-ide-5-carboxylate Traditional Name: ferrous; cyclopenta-1,3-diene; 7-keto-1,4,5,6-tetrahydroinden-1-ide-5-carboxylic acid methyl ester Formula: C16H16FeO3 MolecularWeight: 312.14144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C([CH-]C=C2)C(=O)C1.C1C=CC=[C-]1.[Fe+2]

Isomeric SMILES

COC(=O)C1CC2=C([CH-]C=C2)C(=O)C1.C1C=CC=[C-]1.[Fe+2]

InChI

InChI=1S/C11H11O3.C5H5.Fe/c1-14-11(13)8-5-7-3-2-4-9(7)10(12)6-8;1-2-4-5-3-1;/h2-4,8H,5-6H2,1H3;1-3H,4H2;/q2*-1;+2