2,2,2-tris(fluoranyl)ethyl 4-azanyl-3,5-bis(bromanyl)benzenesulfonate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-azanyl-3,5-bis(bromanyl)benzenesulfonate Openeye Name: 2,2,2-trifluoroethyl 4-amino-3,5-dibromo-benzenesulfonate CAS Name: 4-amino-3,5-dibromobenzenesulfonic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate Traditional Name: 4-amino-3,5-dibromo-benzenesulfonic acid 2,2,2-trifluoroethyl ester Formula: C8H6Br2F3NO3S MolecularWeight: 413.00635

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)OCC(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)OCC(F)(F)F

InChI

InChI=1S/C8H6Br2F3NO3S/c9-5-1-4(2-6(10)7(5)14)18(15,16)17-3-8(11,12)13/h1-2H,3,14H2