3-ethyl-2H-1,3-benzothiazole-6-sulfonate

Systemtic Name: 3-ethyl-2H-1,3-benzothiazole-6-sulfonate Openeye Name: 3-ethyl-2H-1,3-benzothiazole-6-sulfonate CAS Name: 3-ethyl-2H-1,3-benzothiazole-6-sulfonate IUPAC Name: 3-ethyl-2H-1,3-benzothiazole-6-sulfonate Traditional Name: 3-ethyl-2H-1,3-benzothiazole-6-sulfonate Formula: C9H10NO3S2- MolecularWeight: 244.3106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CSC2=C1C=CC(=C2)S(=O)(=O)[O-]

Isomeric SMILES

CCN1CSC2=C1C=CC(=C2)S(=O)(=O)[O-]

InChI

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