2-iodyl-3,5-bis(trifluoromethyl)benzenesulfonic acid

Systemtic Name: 2-iodyl-3,5-bis(trifluoromethyl)benzenesulfonic acid Openeye Name: 2-iodyl-3,5-bis(trifluoromethyl)benzenesulfonic acid CAS Name: 2-iodyl-3,5-bis(trifluoromethyl)benzenesulfonic acid IUPAC Name: 2-iodyl-3,5-bis(trifluoromethyl)benzenesulfonic acid Traditional Name: 2-iodyl-3,5-bis(trifluoromethyl)besylic acid Formula: C8H3F6IO5S MolecularWeight: 452.066309

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(F)(F)F)I(=O)=O)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1C(F)(F)F)I(=O)=O)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C8H3F6IO5S/c9-7(10,11)3-1-4(8(12,13)14)6(15(16)17)5(2-3)21(18,19)20/h1-2H,(H,18,19,20)