3-(ethanoylcarbamoyl)-4-iodyl-benzenesulfonic acid

Systemtic Name: 3-(ethanoylcarbamoyl)-4-iodyl-benzenesulfonic acid Openeye Name: 3-(acetylcarbamoyl)-4-iodyl-benzenesulfonic acid CAS Name: 3-[acetamido(oxo)methyl]-4-iodylbenzenesulfonic acid IUPAC Name: 3-(acetylcarbamoyl)-4-iodylbenzenesulfonic acid Traditional Name: 3-(acetylcarbamoyl)-4-iodyl-besylic acid Formula: C9H8INO7S MolecularWeight: 401.13179

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)O)I(=O)=O

Isomeric SMILES

CC(=O)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)O)I(=O)=O

InChI

InChI=1S/C9H8INO7S/c1-5(12)11-9(13)7-4-6(19(16,17)18)2-3-8(7)10(14)15/h2-4H,1H3,(H,11,12,13)(H,16,17,18)