iron(3+); 2-(5-oxidanylpentyl)chromene-3,4-dione

Systemtic Name: iron(3+); 2-(5-oxidanylpentyl)chromene-3,4-dione Openeye Name: ferric 2-(5-hydroxypentyl)chromane-3,4-dione CAS Name: 2-(5-hydroxypentyl)-3,4-dihydro-2H-1-benzopyran-3,4-dione; iron(3+) IUPAC Name: 2-(5-hydroxypentyl)chromene-3,4-dione; iron(3+) Traditional Name: ferric 2-(5-hydroxypentyl)chroman-3,4-quinone Formula: C28H32FeO8+3 MolecularWeight: 552.39388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=O)C(O2)CCCCCO.C1=CC=C2C(=C1)C(=O)C(=O)C(O2)CCCCCO.[Fe+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=O)C(O2)CCCCCO.C1=CC=C2C(=C1)C(=O)C(=O)C(O2)CCCCCO.[Fe+3]

InChI

InChI=1S/2C14H16O4.Fe/c2*15-9-5-1-2-8-12-14(17)13(16)10-6-3-4-7-11(10)18-12;/h2*3-4,6-7,12,15H,1-2,5,8-9H2;/q;;+3