(2-methyl-2H-1,3-benzothiazol-3-yl)methanesulfonic acid

Systemtic Name: (2-methyl-2H-1,3-benzothiazol-3-yl)methanesulfonic acid Openeye Name: (2-methyl-2H-1,3-benzothiazol-3-yl)methanesulfonic acid CAS Name: (2-methyl-2H-1,3-benzothiazol-3-yl)methanesulfonic acid IUPAC Name: (2-methyl-2H-1,3-benzothiazol-3-yl)methanesulfonic acid Traditional Name: (2-methyl-2H-1,3-benzothiazol-3-yl)methanesulfonic acid Formula: C9H11NO3S2 MolecularWeight: 245.31854

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=CC=CC=C2S1)CS(=O)(=O)O

Isomeric SMILES

CC1N(C2=CC=CC=C2S1)CS(=O)(=O)O

InChI

InChI=1S/C9H11NO3S2/c1-7-10(6-15(11,12)13)8-4-2-3-5-9(8)14-7/h2-5,7H,6H2,1H3,(H,11,12,13)