5-methyl-1,2-thiazol-2-ium-4-sulfonic acid

Systemtic Name: 5-methyl-1,2-thiazol-2-ium-4-sulfonic acid Openeye Name: 5-methylisothiazol-2-ium-4-sulfonic acid CAS Name: 5-methyl-4-isothiazol-2-iumsulfonic acid IUPAC Name: 5-methyl-1,2-thiazol-2-ium-4-sulfonic acid Traditional Name: 5-methylisothiazol-2-ium-4-sulfonic acid Formula: C4H6NO3S2+ MolecularWeight: 180.22534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[NH+]S1)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=[NH+]S1)S(=O)(=O)O

InChI

InChI=1S/C4H5NO3S2/c1-3-4(2-5-9-3)10(6,7)8/h2H,1H3,(H,6,7,8)/p+1