methyl 1,2,3-benzodithiazol-1-ium-6-carboxylate

Systemtic Name: methyl 1,2,3-benzodithiazol-1-ium-6-carboxylate Openeye Name: methyl 1,2,3-benzodithiazol-1-ium-6-carboxylate CAS Name: 1,2,3-benzodithiazol-1-ium-6-carboxylic acid methyl ester IUPAC Name: methyl 1,2,3-benzodithiazol-1-ium-6-carboxylate Traditional Name: 1,2,3-benzodithiazol-1-ium-6-carboxylic acid methyl ester Formula: C8H6NO2S2+ MolecularWeight: 212.26874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=[S+]SN=C2C=C1

Isomeric SMILES

COC(=O)C1=CC2=[S+]SN=C2C=C1

InChI

InChI=1S/C8H6NO2S2/c1-11-8(10)5-2-3-6-7(4-5)12-13-9-6/h2-4H,1H3/q+1