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CHEBI:116121 - 2-nitrobenzoic acid [1,1,1,3,3,3-hexafluoro-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] ester

ChEBI IDCHEBI:116121
ChEBI Name2-nitrobenzoic acid [1,1,1,3,3,3-hexafluoro-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] ester
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DownloadsMolfile
FormulaC23H16F6N2O6S
Net Charge0
Average Mass562.444
Monoisotopic Mass562.06333
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(OC(=O)c3ccccc3[N+](=O)[O-])(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H16F6N2O6S/c1-14-6-12-17(13-7-14)38(35,36)30-16-10-8-15(9-11-16)21(22(24,25)26,23(27,28)29)37-20(32)18-4-2-3-5-19(18)31(33)34/h2-13,30H,1H3
InChIKeyXDJWAOUGFANZTF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-nitrobenzoic acid [1,1,1,3,3,3-hexafluoro-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] ester (CHEBI:116121) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-27577LINCS