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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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