2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-5-sulfamoyl-benzoic acid Openeye Name: 2-(3-methoxy-3-oxo-propyl)sulfanyl-5-sulfamoyl-benzoic acid CAS Name: 2-[(3-methoxy-3-oxopropyl)thio]-5-sulfamoylbenzoic acid IUPAC Name: 2-(3-methoxy-3-oxopropyl)sulfanyl-5-sulfamoylbenzoic acid Traditional Name: 2-[(3-keto-3-methoxy-propyl)thio]-5-sulfamoyl-benzoic acid Formula: C11H13NO6S2 MolecularWeight: 319.35402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C11H13NO6S2/c1-18-10(13)4-5-19-9-3-2-7(20(12,16)17)6-8(9)11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H2,12,16,17)