cyclopenta-1,3-diene; iron(2+); phenyl cyclopenta-1,3-diene-1-carboxylate

Systemtic Name: cyclopenta-1,3-diene; iron(2+); phenyl cyclopenta-1,3-diene-1-carboxylate Openeye Name: ferrous; cyclopenta-1,3-diene; phenyl cyclopenta-1,3-diene-1-carboxylate CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-1,3-dienecarboxylic acid phenyl ester; iron(2+) IUPAC Name: cyclopenta-1,3-diene; iron(2+); phenyl cyclopenta-1,3-diene-1-carboxylate Traditional Name: ferrous; cyclopenta-1,3-diene; cyclopenta-1,3-diene-1-carboxylic acid phenyl ester Formula: C17H14FeO2 MolecularWeight: 306.13686

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1C(=O)OC2=CC=CC=C2.[Fe+2]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1C(=O)OC2=CC=CC=C2.[Fe+2]

InChI

InChI=1S/C12H9O2.C5H5.Fe/c13-12(10-6-4-5-7-10)14-11-8-2-1-3-9-11;1-2-4-5-3-1;/h1-9H;1-5H;/q2*-1;+2