7-sulfanylidenehenicosane-3-sulfonic acid

Systemtic Name: 7-sulfanylidenehenicosane-3-sulfonic acid Openeye Name: 7-thioxohenicosane-3-sulfonic acid CAS Name: 7-sulfanylidene-3-heneicosanesulfonic acid IUPAC Name: 7-sulfanylidenehenicosane-3-sulfonic acid Traditional Name: 7-thioxoheneicosane-3-sulfonic acid Formula: C21H42O3S2 MolecularWeight: 406.68638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=S)CCCC(CC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(=S)CCCC(CC)S(=O)(=O)O

InChI

InChI=1S/C21H42O3S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(25)18-16-19-21(4-2)26(22,23)24/h21H,3-19H2,1-2H3,(H,22,23,24)