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

Systemtic Name: 2-sulfanylidene-3H-1,3-benzothiazole-5-sulfonic acid Openeye Name: 2-thioxo-3H-1,3-benzothiazole-5-sulfonic acid CAS Name: 2-sulfanylidene-3H-1,3-benzothiazole-5-sulfonic acid IUPAC Name: 2-sulfanylidene-3H-1,3-benzothiazole-5-sulfonic acid Traditional Name: 2-thioxo-3H-1,3-benzothiazole-5-sulfonic acid Formula: C7H5NO3S3 MolecularWeight: 247.3145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=S)S2

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=S)S2

InChI

InChI=1S/C7H5NO3S3/c9-14(10,11)4-1-2-6-5(3-4)8-7(12)13-6/h1-3H,(H,8,12)(H,9,10,11)