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

Systemtic Name: 3-(2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propanoic acid Openeye Name: 3-(2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propanoic acid CAS Name: 3-(2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfopropanoic acid IUPAC Name: 3-(2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfopropanoic acid Traditional Name: 3-(2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propionic acid Formula: C11H13NO5S2 MolecularWeight: 303.35462

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=CC=CC=C2S1)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1N(C2=CC=CC=C2S1)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H13NO5S2/c1-7-12(6-10(11(13)14)19(15,16)17)8-4-2-3-5-9(8)18-7/h2-5,7,10H,6H2,1H3,(H,13,14)(H,15,16,17)