3-ethyl-2H-1,3-benzothiazole-2-sulfonate

Systemtic Name: 3-ethyl-2H-1,3-benzothiazole-2-sulfonate Openeye Name: 3-ethyl-2H-1,3-benzothiazole-2-sulfonate CAS Name: 3-ethyl-2H-1,3-benzothiazole-2-sulfonate IUPAC Name: 3-ethyl-2H-1,3-benzothiazole-2-sulfonate Traditional Name: 3-ethyl-2H-1,3-benzothiazole-2-sulfonate Formula: C9H10NO3S2- MolecularWeight: 244.3106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=CC=CC=C21)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C(SC2=CC=CC=C21)S(=O)(=O)[O-]

InChI

InChI=1S/C9H11NO3S2/c1-2-10-7-5-3-4-6-8(7)14-9(10)15(11,12)13/h3-6,9H,2H2,1H3,(H,11,12,13)/p-1