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Specification
PubChem CID 3017698.
The molecular formula is C9H11NO6S.
The molecular weight is 261.25 g/mol.
The IUPAC name is 2,3-dimethoxy-5-sulfamoylbenzoic acid.
Some synonyms include 2,3-Dimethoxy-5-sulphamoylbenzoic acid and 5-(Aminosulfonyl)-2,3-dimethoxybenzoic Acid.
The InChI is InChI=1S/C9H11NO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)(H2,10,13,14).
The InChIKey is YEVQOPOKMKTXMD-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC(=CC(=C1OC)C(=O)O)S(=O)(=O)N.
The CAS number is 66644-80-2.
The Monoisotopic Mass is 261.03070824 g/mol.