cyclopenta-1,3-diene; [(E)-4-cyclopenta-2,4-dien-1-ylbut-3-enyl] ethanoate; iron

Systemtic Name: cyclopenta-1,3-diene; [(E)-4-cyclopenta-2,4-dien-1-ylbut-3-enyl] ethanoate; iron Openeye Name: cyclopenta-1,3-diene; [(E)-4-cyclopenta-2,4-dien-1-ylbut-3-enyl] acetate; iron CAS Name: acetic acid [(E)-4-(1-cyclopenta-2,4-dienyl)but-3-enyl] ester; cyclopenta-1,3-diene; iron IUPAC Name: cyclopenta-1,3-diene; [(E)-4-cyclopenta-2,4-dien-1-ylbut-3-enyl] acetate; iron Traditional Name: acetic acid [(E)-4-cyclopenta-2,4-dien-1-ylbut-3-enyl] ester; cyclopenta-1,3-diene; iron Formula: C16H18FeO2-2 MolecularWeight: 298.15792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)OCC/C=C/[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C11H13O2.C5H5.Fe/c1-10(12)13-9-5-4-8-11-6-2-3-7-11;1-2-4-5-3-1;/h2-4,6-8H,5,9H2,1H3;1-5H;/q2*-1;/b8-4+;;