3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate

Systemtic Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate Openeye Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate CAS Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate IUPAC Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate Traditional Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate Formula: C9H9NO3S2 MolecularWeight: 243.30266

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)S(=O)(=O)[O-]

InChI

InChI=1S/C9H9NO3S2/c1-2-10-7-5-3-4-6-8(7)14-9(10)15(11,12)13/h3-6H,2H2,1H3