3,4-dimethyl-5-(prop-2-ynylsulfamoyl)benzoic acid

Systemtic Name: 3,4-dimethyl-5-(prop-2-ynylsulfamoyl)benzoic acid Openeye Name: 3,4-dimethyl-5-(prop-2-ynylsulfamoyl)benzoic acid CAS Name: 3,4-dimethyl-5-(prop-2-ynylsulfamoyl)benzoic acid IUPAC Name: 3,4-dimethyl-5-(prop-2-ynylsulfamoyl)benzoic acid Traditional Name: 3,4-dimethyl-5-(propargylsulfamoyl)benzoic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC#C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC#C)C

InChI

InChI=1S/C12H13NO4S/c1-4-5-13-18(16,17)11-7-10(12(14)15)6-8(2)9(11)3/h1,6-7,13H,5H2,2-3H3,(H,14,15)