6-sulfanylidenehenicosane-2-sulfonic acid

Systemtic Name: 6-sulfanylidenehenicosane-2-sulfonic acid Openeye Name: 6-thioxohenicosane-2-sulfonic acid CAS Name: 6-sulfanylidene-2-heneicosanesulfonic acid IUPAC Name: 6-sulfanylidenehenicosane-2-sulfonic acid Traditional Name: 6-thioxoheneicosane-2-sulfonic acid Formula: C21H42O3S2 MolecularWeight: 406.68638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=S)CCCC(C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=S)CCCC(C)S(=O)(=O)O

InChI

InChI=1S/C21H42O3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(25)19-16-17-20(2)26(22,23)24/h20H,3-19H2,1-2H3,(H,22,23,24)