2-dodecylbenzenesulfonate; iron(3+); oxygen(2-)

Systemtic Name: 2-dodecylbenzenesulfonate; iron(3+); oxygen(2-) Openeye Name: ferric; 2-dodecylbenzenesulfonate; oxygen(2-) CAS Name: 2-dodecylbenzenesulfonate; iron(3+); oxygen(2-) IUPAC Name: 2-dodecylbenzenesulfonate; iron(3+); oxygen(2-) Traditional Name: ferric; 2-laurylbesylate; oxygen(2-) Formula: C18H29FeO4S MolecularWeight: 397.33046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[O-2].[Fe+3]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[O-2].[Fe+3]

InChI

InChI=1S/C18H30O3S.Fe.O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);;/q;+3;-2/p-1