butan-1-one; cyclopenta-1,3-diene; iron(4+)

Systemtic Name: butan-1-one; cyclopenta-1,3-diene; iron(4+) Openeye Name: butan-1-one; cyclopenta-1,3-diene; iron(4+) CAS Name: 1-butanone; cyclopenta-1,3-diene; iron(4+) IUPAC Name: butan-1-one; cyclopenta-1,3-diene; iron(4+) Traditional Name: butan-1-one; cyclopenta-1,3-diene; iron(4+) Formula: C18H24FeO2 MolecularWeight: 328.22696

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Descriptors Computed from Structure

Canonical SMILES:

CCC[C-]=O.CCC[C-]=O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Fe+4]

Isomeric SMILES

CCC[C-]=O.CCC[C-]=O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Fe+4]

InChI

InChI=1S/2C5H5.2C4H7O.Fe/c2*1-2-4-5-3-1;2*1-2-3-4-5;/h2*1-3H,4H2;2*2-3H2,1H3;/q4*-1;+4