cyclopenta-1,3-diene; cyclopenta-1,3-dien-1-yl benzoate; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; cyclopenta-1,3-dien-1-yl benzoate; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; cyclopenta-1,3-dien-1-yl benzoate CAS Name: benzoic acid 1-cyclopenta-1,3-dienyl ester; cyclopenta-1,3-diene; iron(2+) IUPAC Name: cyclopenta-1,3-diene; cyclopenta-1,3-dien-1-yl benzoate; iron(2+) Traditional Name: ferrous; benzoic acid cyclopenta-1,3-dien-1-yl ester; cyclopenta-1,3-diene Formula: C17H14FeO2 MolecularWeight: 306.13686

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1OC(=O)C2=CC=CC=C2.[Fe+2]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1OC(=O)C2=CC=CC=C2.[Fe+2]

InChI

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