2,2,2-tris(fluoranyl)ethyl 2-isocyanatosulfonylbenzenesulfonate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-isocyanatosulfonylbenzenesulfonate Openeye Name: 2,2,2-trifluoroethyl 2-isocyanatosulfonylbenzenesulfonate CAS Name: 2-isocyanatosulfonylbenzenesulfonic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-isocyanatosulfonylbenzenesulfonate Traditional Name: 2-isocyanatosulfonylbenzenesulfonic acid 2,2,2-trifluoroethyl ester Formula: C9H6F3NO6S2 MolecularWeight: 345.27225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)S(=O)(=O)N=C=O)S(=O)(=O)OCC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)S(=O)(=O)N=C=O)S(=O)(=O)OCC(F)(F)F

InChI

InChI=1S/C9H6F3NO6S2/c10-9(11,12)5-19-21(17,18)8-4-2-1-3-7(8)20(15,16)13-6-14/h1-4H,5H2