cyclopenta-1,3-diene; (E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoic acid; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; (E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoic acid; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; (E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoic acid CAS Name: cyclopenta-1,3-diene; (E)-3-(1-cyclopenta-1,3-dienyl)-2-propenoic acid; iron(2+) IUPAC Name: cyclopenta-1,3-diene; (E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoic acid; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; (E)-3-cyclopenta-1,3-dien-1-ylacrylic acid Formula: C13H13FeO2+ MolecularWeight: 257.08612

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=C1C=CC(=O)O.[Fe+2]

Isomeric SMILES

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

InChI

InChI=1S/C8H8O2.C5H5.Fe/c9-8(10)6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-3,5-6H,4H2,(H,9,10);1-3H,4H2;/q;-1;+2/b6-5+;;