3-ethanethioyldodecane-1-sulfonic acid

Systemtic Name: 3-ethanethioyldodecane-1-sulfonic acid Openeye Name: 3-ethanethioyldodecane-1-sulfonic acid CAS Name: 3-(1-sulfanylideneethyl)-1-dodecanesulfonic acid IUPAC Name: 3-ethanethioyldodecane-1-sulfonic acid Traditional Name: 3-thioacetyldodecane-1-sulfonic acid Formula: C14H28O3S2 MolecularWeight: 308.50032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCS(=O)(=O)O)C(=S)C

Isomeric SMILES

CCCCCCCCCC(CCS(=O)(=O)O)C(=S)C

InChI

InChI=1S/C14H28O3S2/c1-3-4-5-6-7-8-9-10-14(13(2)18)11-12-19(15,16)17/h14H,3-12H2,1-2H3,(H,15,16,17)