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2-benzofuran-1,3-dione; iron(2+)

2-benzofuran-1,3-dione; iron(2+)

Systemtic Name:2-benzofuran-1,3-dione; iron(2+)
Openeye Name:ferrous isobenzofuran-1,3-dione
CAS Name:iron(2+); isobenzofuran-1,3-dione
IUPAC Name:2-benzofuran-1,3-dione; iron(2+)
Traditional Name:ferrous phthalic anhydride
Formula: C48H24FeO18+2
MolecularWeight: 944.53836
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.[Fe+2]


Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC=C2C(=C1)C(=O)OC2=O.[Fe+2]


InChI

InChI=1S/6C8H4O3.Fe/c6*9-7-5-3-1-2-4-6(5)8(10)11-7;/h6*1-4H;/q;;;;;;+2


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