6,8-bis(sulfanyl)octanoate; iron(3+)

Systemtic Name: 6,8-bis(sulfanyl)octanoate; iron(3+) Openeye Name: ferric 6,8-bis(sulfanyl)octanoate CAS Name: 6,8-dimercaptooctanoate; iron(3+) IUPAC Name: 6,8-bis(sulfanyl)octanoate; iron(3+) Traditional Name: ferric 6,8-dimercaptocaprylate Formula: C24H45FeO6S6 MolecularWeight: 677.8455

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)[O-])CC(CCS)S.C(CCC(=O)[O-])CC(CCS)S.C(CCC(=O)[O-])CC(CCS)S.[Fe+3]

Isomeric SMILES

C(CCC(=O)[O-])CC(CCS)S.C(CCC(=O)[O-])CC(CCS)S.C(CCC(=O)[O-])CC(CCS)S.[Fe+3]

InChI

InChI=1S/3C8H16O2S2.Fe/c3*9-8(10)4-2-1-3-7(12)5-6-11;/h3*7,11-12H,1-6H2,(H,9,10);/q;;;+3/p-3