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3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; iron(2+)

3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; iron(2+)

Systemtic Name:3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; iron(2+)
Openeye Name:ferrous 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione
CAS Name:3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione; iron(2+)
IUPAC Name:3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione; iron(2+)
Traditional Name:ferrous 3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-quinone
Formula: C48H60FeO18+2
MolecularWeight: 980.8242
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)OC2=O.C1CCC2C(C1)C(=O)OC2=O.C1CCC2C(C1)C(=O)OC2=O.C1CCC2C(C1)C(=O)OC2=O.C1CCC2C(C1)C(=O)OC2=O.C1CCC2C(C1)C(=O)OC2=O.[Fe+2]


Isomeric SMILES

C1CCC2C(C1)C(=O)OC2=O.C1CCC2C(C1)C(=O)OC2=O.C1CCC2C(C1)C(=O)OC2=O.C1CCC2C(C1)C(=O)OC2=O.C1CCC2C(C1)C(=O)OC2=O.C1CCC2C(C1)C(=O)OC2=O.[Fe+2]


InChI

InChI=1S/6C8H10O3.Fe/c6*9-7-5-3-1-2-4-6(5)8(10)11-7;/h6*5-6H,1-4H2;/q;;;;;;+2


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