methyl 1,3-benzodithiol-3-ium-4-carboxylate

Systemtic Name: methyl 1,3-benzodithiol-3-ium-4-carboxylate Openeye Name: methyl 1,3-benzodithiol-3-ium-4-carboxylate CAS Name: 1,3-benzodithiol-3-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 1,3-benzodithiol-3-ium-4-carboxylate Traditional Name: 1,3-benzodithiol-3-ium-4-carboxylic acid methyl ester Formula: C9H7O2S2+ MolecularWeight: 211.28068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)SC=[S+]2

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)SC=[S+]2

InChI

InChI=1S/C9H7O2S2/c1-11-9(10)6-3-2-4-7-8(6)13-5-12-7/h2-5H,1H3/q+1