2-methyl-6-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonylamino]benzenesulfonic acid

Systemtic Name: 2-methyl-6-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonylamino]benzenesulfonic acid Openeye Name: 2-methyl-6-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonic acid CAS Name: 2-methyl-6-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonic acid IUPAC Name: 2-methyl-6-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)benzenesulfonic acid Traditional Name: 2-methyl-6-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)besylic acid Formula: C11H8F9NO5S2 MolecularWeight: 469.300549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C11H8F9NO5S2/c1-5-3-2-4-6(7(5)27(22,23)24)21-28(25,26)11(19,20)9(14,15)8(12,13)10(16,17)18/h2-4,21H,1H3,(H,22,23,24)