cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-ylbenzoic acid; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-ylbenzoic acid; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-ylbenzoic acid CAS Name: cyclopenta-1,3-diene; 4-(1-cyclopenta-1,3-dienyl)benzoic acid; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-ylbenzoic acid; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 4-cyclopenta-1,3-dien-1-ylbenzoic acid Formula: C17H14FeO2 MolecularWeight: 306.13686

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1C2=CC=C(C=C2)C(=O)O.[Fe+2]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1C2=CC=C(C=C2)C(=O)O.[Fe+2]

InChI

InChI=1S/C12H9O2.C5H5.Fe/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9;1-2-4-5-3-1;/h1-8H,(H,13,14);1-5H;/q2*-1;+2