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iron(3+); phthalate

iron(3+); phthalate

Systemtic Name:iron(3+); phthalate
Openeye Name:diferric phthalate
CAS Name:iron(3+); phthalate
IUPAC Name:iron(3+); phthalate
Traditional Name:diferric phthalate
Formula: C24H12Fe2O12
MolecularWeight: 604.03488
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Fe+3].[Fe+3]


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Fe+3].[Fe+3]


InChI

InChI=1S/3C8H6O4.2Fe/c3*9-7(10)5-3-1-2-4-6(5)8(11)12;;/h3*1-4H,(H,9,10)(H,11,12);;/q;;;2*+3/p-6


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