3-(2-methylsulfanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(2-methylsulfanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(2-methylsulfanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-[2-(methylthio)-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-(2-methylsulfanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-[2-(methylthio)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C11H13NO3S3 MolecularWeight: 303.42082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-]

Isomeric SMILES

CSC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C11H13NO3S3/c1-16-11-12(7-4-8-18(13,14)15)9-5-2-3-6-10(9)17-11/h2-3,5-6H,4,7-8H2,1H3