[4-(1,3-thiazol-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate

Systemtic Name: [4-(1,3-thiazol-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate Openeye Name: (4-thiazol-2-ylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate CAS Name: 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonic acid IUPAC Name: [4-(1,3-thiazol-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Traditional Name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid (4-thiazol-2-ylphenyl) ester Formula: C13H6F9NO3S2 MolecularWeight: 459.307269

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=CS2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC=CS2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C13H6F9NO3S2/c14-10(15,12(18,19)20)11(16,17)13(21,22)28(24,25)26-8-3-1-7(2-4-8)9-23-5-6-27-9/h1-6H