2-[2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-3-ium-3-yl]ethanoate

Systemtic Name: 2-[2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-3-ium-3-yl]ethanoate Openeye Name: 2-[2-(2-oxido-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-3-ium-3-yl]acetate CAS Name: 2-[2-[(2-oxido-2-oxoethyl)thio]-1,3-benzothiazol-3-ium-3-yl]acetate IUPAC Name: 2-[2-(2-oxido-2-oxoethyl)sulfanyl-1,3-benzothiazol-3-ium-3-yl]acetate Traditional Name: 2-[2-[(2-keto-2-oxido-ethyl)thio]-1,3-benzothiazol-3-ium-3-yl]acetate Formula: C11H8NO4S2- MolecularWeight: 282.31552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=C(S2)SCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=C(S2)SCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C11H9NO4S2/c13-9(14)5-12-7-3-1-2-4-8(7)18-11(12)17-6-10(15)16/h1-4H,5-6H2,(H-,13,14,15,16)/p-1