3-(2-methyl-5-oxidanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(2-methyl-5-oxidanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate IUPAC Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Formula: C11H13NO4S2 MolecularWeight: 287.35522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)O)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)O)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C11H13NO4S2/c1-8-12(5-2-6-18(14,15)16)10-7-9(13)3-4-11(10)17-8/h3-4,7H,2,5-6H2,1H3,(H-,13,14,15,16)