3-ethyl-2H-1,3-benzothiazole-5-sulfonic acid

Systemtic Name: 3-ethyl-2H-1,3-benzothiazole-5-sulfonic acid Openeye Name: 3-ethyl-2H-1,3-benzothiazole-5-sulfonic acid CAS Name: 3-ethyl-2H-1,3-benzothiazole-5-sulfonic acid IUPAC Name: 3-ethyl-2H-1,3-benzothiazole-5-sulfonic acid Traditional Name: 3-ethyl-2H-1,3-benzothiazole-5-sulfonic acid Formula: C9H11NO3S2 MolecularWeight: 245.31854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CSC2=C1C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCN1CSC2=C1C=C(C=C2)S(=O)(=O)O

InChI

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