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

Systemtic Name: 3-(1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate IUPAC Name: 3-(1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Formula: C10H11NO3S2 MolecularWeight: 257.32924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C10H11NO3S2/c12-16(13,14)7-3-6-11-8-15-10-5-2-1-4-9(10)11/h1-2,4-5,8H,3,6-7H2