2-(1,3-benzothiazol-2-yl)-2-sulfanylidene-ethanesulfonic acid

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-sulfanylidene-ethanesulfonic acid Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-thioxo-ethanesulfonic acid CAS Name: 2-(1,3-benzothiazol-2-yl)-2-sulfanylideneethanesulfonic acid IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-sulfanylideneethanesulfonic acid Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-thioxo-ethanesulfonic acid Formula: C9H7NO3S3 MolecularWeight: 273.35178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=S)CS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=S)CS(=O)(=O)O

InChI

InChI=1S/C9H7NO3S3/c11-16(12,13)5-7(14)9-10-6-3-1-2-4-8(6)15-9/h1-4H,5H2,(H,11,12,13)