2-dodecylbenzenesulfonate; iron(2+)

Systemtic Name: 2-dodecylbenzenesulfonate; iron(2+) Openeye Name: ferrous 2-dodecylbenzenesulfonate CAS Name: 2-dodecylbenzenesulfonate; iron(2+) IUPAC Name: 2-dodecylbenzenesulfonate; iron(2+) Traditional Name: ferrous 2-laurylbesylate Formula: C36H58FeO6S2 MolecularWeight: 706.81712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Fe+2]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Fe+2]

InChI

InChI=1S/2C18H30O3S.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2