cyclohepta-4,6-diene-1,3-dione; iron(2+); methanal

Systemtic Name: cyclohepta-4,6-diene-1,3-dione; iron(2+); methanal Openeye Name: ferrous; cyclohepta-4,6-diene-1,3-dione; formaldehyde CAS Name: cyclohepta-4,6-diene-1,3-dione; formaldehyde; iron(2+) IUPAC Name: cyclohepta-4,6-diene-1,3-dione; formaldehyde; iron(2+) Traditional Name: ferrous; cyclohepta-4,6-diene-1,3-quinone; formaldehyde Formula: C10H12FeO5+2 MolecularWeight: 268.04428

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C=O.C=O.C1C(=O)C=CC=CC1=O.[Fe+2]

Isomeric SMILES

C=O.C=O.C=O.C1C(=O)C=CC=CC1=O.[Fe+2]

InChI

InChI=1S/C7H6O2.3CH2O.Fe/c8-6-3-1-2-4-7(9)5-6;3*1-2;/h1-4H,5H2;3*1H2;/q;;;;+2