cyclopenta-1,3-diene; (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one; iron

Systemtic Name: cyclopenta-1,3-diene; (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one; iron Openeye Name: cyclopenta-1,3-diene; (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one; iron CAS Name: cyclopenta-1,3-diene; (E)-4-(1-cyclopenta-2,4-dienyl)-3-buten-2-one; iron IUPAC Name: cyclopenta-1,3-diene; (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one; iron Traditional Name: cyclopenta-1,3-diene; (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one; iron Formula: C14H14FeO-2 MolecularWeight: 254.10536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9O.C5H5.Fe/c1-8(10)6-7-9-4-2-3-5-9;1-2-4-5-3-1;/h2-7H,1H3;1-5H;/q2*-1;/b7-6+;;