2-butyl-3-methyl-heptanoate; iron(3+)

Systemtic Name: 2-butyl-3-methyl-heptanoate; iron(3+) Openeye Name: ferric 2-butyl-3-methyl-heptanoate CAS Name: 2-butyl-3-methylheptanoate; iron(3+) IUPAC Name: 2-butyl-3-methylheptanoate; iron(3+) Traditional Name: ferric 2-butyl-3-methyl-enanthate Formula: C36H69FeO6 MolecularWeight: 653.77446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(CCCC)C(=O)[O-].CCCCC(C)C(CCCC)C(=O)[O-].CCCCC(C)C(CCCC)C(=O)[O-].[Fe+3]

Isomeric SMILES

CCCCC(C)C(CCCC)C(=O)[O-].CCCCC(C)C(CCCC)C(=O)[O-].CCCCC(C)C(CCCC)C(=O)[O-].[Fe+3]

InChI

InChI=1S/3C12H24O2.Fe/c3*1-4-6-8-10(3)11(12(13)14)9-7-5-2;/h3*10-11H,4-9H2,1-3H3,(H,13,14);/q;;;+3/p-3