5-[(3-iodanylphenyl)sulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[(3-iodanylphenyl)sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[(3-iodophenyl)sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[(3-iodophenyl)sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[(3-iodophenyl)sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[(3-iodophenyl)sulfamoyl]-2-methyl-benzoic acid Formula: C14H12INO4S MolecularWeight: 417.21885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)I)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)I)C(=O)O

InChI

InChI=1S/C14H12INO4S/c1-9-5-6-12(8-13(9)14(17)18)21(19,20)16-11-4-2-3-10(15)7-11/h2-8,16H,1H3,(H,17,18)