2-dodecylbenzenesulfonate; 2-dodecylbenzenesulfonic acid; iron(2+)

Systemtic Name: 2-dodecylbenzenesulfonate; 2-dodecylbenzenesulfonic acid; iron(2+) Openeye Name: ferrous; 2-dodecylbenzenesulfonate; 2-dodecylbenzenesulfonic acid CAS Name: 2-dodecylbenzenesulfonate; 2-dodecylbenzenesulfonic acid; iron(2+) IUPAC Name: 2-dodecylbenzenesulfonate; 2-dodecylbenzenesulfonic acid; iron(2+) Traditional Name: ferrous; 2-laurylbesylate; 2-laurylbesylic acid Formula: C36H59FeO6S2+ MolecularWeight: 707.82506

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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-1