2-dodecylbenzenesulfonate; iron(3+)

Systemtic Name: 2-dodecylbenzenesulfonate; iron(3+) Openeye Name: ferric 2-dodecylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonate; iron(3+) IUPAC Name: 2-dodecylbenzenesulfonate; iron(3+) Traditional Name: ferric 2-laurylbesylate Formula: C54H87FeO9S3 MolecularWeight: 1032.30318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Fe+3]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Fe+3]

InChI

InChI=1S/3C18H30O3S.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h3*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;;+3/p-3