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

Systemtic Name: 3-(2-methyl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Openeye Name: 3-(2-methyl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid CAS Name: 3-(2-methyl-2H-1,3-benzothiazol-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(2-methyl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Traditional Name: 3-(2-methyl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Formula: C11H15NO3S2 MolecularWeight: 273.3717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO3S2/c1-9-12(7-4-8-17(13,14)15)10-5-2-3-6-11(10)16-9/h2-3,5-6,9H,4,7-8H2,1H3,(H,13,14,15)