2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 3-(trifluoromethyl)benzenesulfonate Openeye Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester IUPAC Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid 2-[(7-nitrobenzofurazan-4-yl)thio]ethyl ester Formula: C15H10F3N3O6S2 MolecularWeight: 449.38161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H10F3N3O6S2/c16-15(17,18)9-2-1-3-10(8-9)29(24,25)26-6-7-28-12-5-4-11(21(22)23)13-14(12)20-27-19-13/h1-5,8H,6-7H2