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3-[({[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl}acetyl)amino]benzoic acid
SpectraBase Compound ID 5gL4XBtx6jb
InChI InChI=1S/C16H11ClF3NO5S/c17-12-7-10(16(18,19)20)4-5-13(12)27(25,26)8-14(22)21-11-3-1-2-9(6-11)15(23)24/h1-7H,8H2,(H,21,22)(H,23,24)
InChIKey DEELODXQNYZMOV-UHFFFAOYSA-N
Mol Weight 421.77 g/mol
Molecular Formula C16H11ClF3NO5S
Exact Mass 420.999856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABENqavxmL
Name 3-[({[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl}acetyl)amino]benzoic acid
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Formula C16H11ClF3NO5S
InChI InChI=1S/C16H11ClF3NO5S/c17-12-7-10(16(18,19)20)4-5-13(12)27(25,26)8-14(22)21-11-3-1-2-9(6-11)15(23)24/h1-7H,8H2,(H,21,22)(H,23,24)
InChIKey DEELODXQNYZMOV-UHFFFAOYSA-N
Molecular Weight 421.774 g/mol
SMILES OC(c1cc(ccc1)NC(CS(c1c(cc(C(F)(F)F)cc1)Cl)(=O)=O)=O)=O
SPLASH splash10-000i-3900000000-26b1dc5127c0bd3a23a9
Synonyms 3-[2-[2-chloranyl-4-(trifluoromethyl)phenyl]sulfonylethanoylamino]benzoic acid 3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-1-oxoethyl]amino]benzoic acid 3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylacetyl]amino]benzoic acid
Wiley ID 1442242