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

Systemtic Name: ethyl 1,2,3-benzodithiazol-1-ium-6-carboxylate Openeye Name: ethyl 1,2,3-benzodithiazol-1-ium-6-carboxylate CAS Name: 1,2,3-benzodithiazol-1-ium-6-carboxylic acid ethyl ester IUPAC Name: ethyl 1,2,3-benzodithiazol-1-ium-6-carboxylate Traditional Name: 1,2,3-benzodithiazol-1-ium-6-carboxylic acid ethyl ester Formula: C9H8NO2S2+ MolecularWeight: 226.29532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8NO2S2/c1-2-12-9(11)6-3-4-7-8(5-6)13-14-10-7/h3-5H,2H2,1H3/q+1