4-chloranyl-2-ethynyl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-2-ethynyl-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-ethynyl-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-ethynyl-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-ethynyl-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-ethynyl-5-sulfamoyl-benzoic acid Formula: C9H6ClNO4S MolecularWeight: 259.66624

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C#CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C9H6ClNO4S/c1-2-5-3-7(10)8(16(11,14)15)4-6(5)9(12)13/h1,3-4H,(H,12,13)(H2,11,14,15)