methyl 5-ethanoyl-2-sulfanyl-benzenesulfonate

Systemtic Name: methyl 5-ethanoyl-2-sulfanyl-benzenesulfonate Openeye Name: methyl 5-acetyl-2-sulfanyl-benzenesulfonate CAS Name: 5-acetyl-2-mercaptobenzenesulfonic acid methyl ester IUPAC Name: methyl 5-acetyl-2-sulfanylbenzenesulfonate Traditional Name: 5-acetyl-2-mercapto-benzenesulfonic acid methyl ester Formula: C9H10O4S2 MolecularWeight: 246.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)S)S(=O)(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)S)S(=O)(=O)OC

InChI

InChI=1S/C9H10O4S2/c1-6(10)7-3-4-8(14)9(5-7)15(11,12)13-2/h3-5,14H,1-2H3