3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium-5-sulfonic acid

Systemtic Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium-5-sulfonic acid Openeye Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium-5-sulfonic acid CAS Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium-5-sulfonic acid IUPAC Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium-5-sulfonic acid Traditional Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium-5-sulfonic acid Formula: C9H10NO3S3+ MolecularWeight: 276.3756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=C(C=C2)S(=O)(=O)O)SC

Isomeric SMILES

C[N+]1=C(SC2=C1C=C(C=C2)S(=O)(=O)O)SC

InChI

InChI=1S/C9H9NO3S3/c1-10-7-5-6(16(11,12)13)3-4-8(7)15-9(10)14-2/h3-5H,1-2H3/p+1