3-[[3-(iodanylmethyl)phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 3-[[3-(iodanylmethyl)phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 3-[[3-(iodomethyl)benzoyl]amino]benzenesulfonic acid CAS Name: 3-[[[3-(iodomethyl)phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 3-[[3-(iodomethyl)benzoyl]amino]benzenesulfonic acid Traditional Name: 3-[[3-(iodomethyl)benzoyl]amino]besylic acid Formula: C14H12INO4S MolecularWeight: 417.21885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CI)C(=O)NC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CI)C(=O)NC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C14H12INO4S/c15-9-10-3-1-4-11(7-10)14(17)16-12-5-2-6-13(8-12)21(18,19)20/h1-8H,9H2,(H,16,17)(H,18,19,20)