3-[[[4-(3-iodanyl-2-oxidanyl-propoxy)phenyl]amino]methoxy]benzenesulfonic acid

Systemtic Name: 3-[[[4-(3-iodanyl-2-oxidanyl-propoxy)phenyl]amino]methoxy]benzenesulfonic acid Openeye Name: 3-[[4-(2-hydroxy-3-iodo-propoxy)anilino]methoxy]benzenesulfonic acid CAS Name: 3-[[4-(2-hydroxy-3-iodopropoxy)anilino]methoxy]benzenesulfonic acid IUPAC Name: 3-[[4-(2-hydroxy-3-iodopropoxy)anilino]methoxy]benzenesulfonic acid Traditional Name: 3-[[4-(2-hydroxy-3-iodo-propoxy)anilino]methoxy]besylic acid Formula: C16H18INO6S MolecularWeight: 479.28669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)OCNC2=CC=C(C=C2)OCC(CI)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)OCNC2=CC=C(C=C2)OCC(CI)O

InChI

InChI=1S/C16H18INO6S/c17-9-13(19)10-23-14-6-4-12(5-7-14)18-11-24-15-2-1-3-16(8-15)25(20,21)22/h1-8,13,18-19H,9-11H2,(H,20,21,22)