cyclopenta-1,3-diene; iron; propyl 2-cyclopenta-2,4-dien-1-ylbenzoate

Systemtic Name: cyclopenta-1,3-diene; iron; propyl 2-cyclopenta-2,4-dien-1-ylbenzoate Openeye Name: cyclopenta-1,3-diene; iron; propyl 2-cyclopenta-2,4-dien-1-ylbenzoate CAS Name: cyclopenta-1,3-diene; 2-(1-cyclopenta-2,4-dienyl)benzoic acid propyl ester; iron IUPAC Name: cyclopenta-1,3-diene; iron; propyl 2-cyclopenta-2,4-dien-1-ylbenzoate Traditional Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-ylbenzoic acid propyl ester; iron Formula: C20H20FeO2-2 MolecularWeight: 348.2166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15O2.C5H5.Fe/c1-2-11-17-15(16)14-10-6-5-9-13(14)12-7-3-4-8-12;1-2-4-5-3-1;/h3-10H,2,11H2,1H3;1-5H;/q2*-1;