4-(2-cyano-5-iodanyl-phenoxy)benzenesulfonic acid

Systemtic Name: 4-(2-cyano-5-iodanyl-phenoxy)benzenesulfonic acid Openeye Name: 4-(2-cyano-5-iodo-phenoxy)benzenesulfonic acid CAS Name: 4-(2-cyano-5-iodophenoxy)benzenesulfonic acid IUPAC Name: 4-(2-cyano-5-iodophenoxy)benzenesulfonic acid Traditional Name: 4-(2-cyano-5-iodo-phenoxy)besylic acid Formula: C13H8INO4S MolecularWeight: 401.17639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C=CC(=C2)I)C#N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C=CC(=C2)I)C#N)S(=O)(=O)O

InChI

InChI=1S/C13H8INO4S/c14-10-2-1-9(8-15)13(7-10)19-11-3-5-12(6-4-11)20(16,17)18/h1-7H,(H,16,17,18)