iron(3+); 7-methyloctanoate

Systemtic Name: iron(3+); 7-methyloctanoate Openeye Name: ferric 7-methyloctanoate CAS Name: iron(3+); 7-methyloctanoate IUPAC Name: iron(3+); 7-methyloctanoate Traditional Name: ferric 7-methylcaprylate Formula: C27H51FeO6 MolecularWeight: 527.53524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C9H18O2.Fe/c3*1-8(2)6-4-3-5-7-9(10)11;/h3*8H,3-7H2,1-2H3,(H,10,11);/q;;;+3/p-3