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

Systemtic Name: cyclopenta-1,3-diene; iron; methyl 3-cyclopenta-2,4-dien-1-ylbenzoate Openeye Name: cyclopenta-1,3-diene; iron; methyl 3-cyclopenta-2,4-dien-1-ylbenzoate CAS Name: cyclopenta-1,3-diene; 3-(1-cyclopenta-2,4-dienyl)benzoic acid methyl ester; iron IUPAC Name: cyclopenta-1,3-diene; iron; methyl 3-cyclopenta-2,4-dien-1-ylbenzoate Traditional Name: cyclopenta-1,3-diene; 3-cyclopenta-2,4-dien-1-ylbenzoic acid methyl ester; iron Formula: C18H16FeO2-2 MolecularWeight: 320.16344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11O2.C5H5.Fe/c1-15-13(14)12-8-4-7-11(9-12)10-5-2-3-6-10;1-2-4-5-3-1;/h2-9H,1H3;1-5H;/q2*-1;