4-butoxy-3-(2-hydroxyethyloxy)butanoate; 3-(2-hydroxyethyloxy)-4-oxidanyl-butanoate; iron(3+)

Systemtic Name: 4-butoxy-3-(2-hydroxyethyloxy)butanoate; 3-(2-hydroxyethyloxy)-4-oxidanyl-butanoate; iron(3+) Openeye Name: ferric; 4-butoxy-3-(2-hydroxyethoxy)butanoate; 4-hydroxy-3-(2-hydroxyethoxy)butanoate CAS Name: 4-butoxy-3-(2-hydroxyethoxy)butanoate; 4-hydroxy-3-(2-hydroxyethoxy)butanoate; iron(3+) IUPAC Name: 4-butoxy-3-(2-hydroxyethoxy)butanoate; 4-hydroxy-3-(2-hydroxyethoxy)butanoate; iron(3+) Traditional Name: ferric; 4-butoxy-3-(2-hydroxyethoxy)butyrate; 4-hydroxy-3-(2-hydroxyethoxy)butyrate Formula: C22H41FeO15 MolecularWeight: 601.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CC(=O)[O-])OCCO.C(COC(CC(=O)[O-])CO)O.C(COC(CC(=O)[O-])CO)O.[Fe+3]

Isomeric SMILES

CCCCOCC(CC(=O)[O-])OCCO.C(COC(CC(=O)[O-])CO)O.C(COC(CC(=O)[O-])CO)O.[Fe+3]

InChI

InChI=1S/C10H20O5.2C6H12O5.Fe/c1-2-3-5-14-8-9(7-10(12)13)15-6-4-11;2*7-1-2-11-5(4-8)3-6(9)10;/h9,11H,2-8H2,1H3,(H,12,13);2*5,7-8H,1-4H2,(H,9,10);/q;;;+3/p-3