6-methanoyl-1,3-benzothiazole-2-sulfonic acid

Systemtic Name: 6-methanoyl-1,3-benzothiazole-2-sulfonic acid Openeye Name: 6-formyl-1,3-benzothiazole-2-sulfonic acid CAS Name: 6-formyl-1,3-benzothiazole-2-sulfonic acid IUPAC Name: 6-formyl-1,3-benzothiazole-2-sulfonic acid Traditional Name: 6-formyl-1,3-benzothiazole-2-sulfonic acid Formula: C8H5NO4S2 MolecularWeight: 243.2596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C=O)SC(=N2)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C=O)SC(=N2)S(=O)(=O)O

InChI

InChI=1S/C8H5NO4S2/c10-4-5-1-2-6-7(3-5)14-8(9-6)15(11,12)13/h1-4H,(H,11,12,13)