4-[[[3,4,5-tris(iodanyl)phenyl]sulfonylamino]methyl]benzenesulfonic acid

Systemtic Name: 4-[[[3,4,5-tris(iodanyl)phenyl]sulfonylamino]methyl]benzenesulfonic acid Openeye Name: 4-[[(3,4,5-triiodophenyl)sulfonylamino]methyl]benzenesulfonic acid CAS Name: 4-[[(3,4,5-triiodophenyl)sulfonylamino]methyl]benzenesulfonic acid IUPAC Name: 4-[[(3,4,5-triiodophenyl)sulfonylamino]methyl]benzenesulfonic acid Traditional Name: 4-[[(3,4,5-triiodophenyl)sulfonylamino]methyl]besylic acid Formula: C13H10I3NO5S2 MolecularWeight: 705.06561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNS(=O)(=O)C2=CC(=C(C(=C2)I)I)I)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNS(=O)(=O)C2=CC(=C(C(=C2)I)I)I)S(=O)(=O)O

InChI

InChI=1S/C13H10I3NO5S2/c14-11-5-10(6-12(15)13(11)16)23(18,19)17-7-8-1-3-9(4-2-8)24(20,21)22/h1-6,17H,7H2,(H,20,21,22)