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5-[({[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl}acetyl)amino]-2-hydroxybenzoic acid
SpectraBase Compound ID 7BbPwNkm7Eu
InChI InChI=1S/C16H11ClF3NO6S/c17-11-5-8(16(18,19)20)1-4-13(11)28(26,27)7-14(23)21-9-2-3-12(22)10(6-9)15(24)25/h1-6,22H,7H2,(H,21,23)(H,24,25)
InChIKey RMMBUZNWGAGDEX-UHFFFAOYSA-N
Mol Weight 437.77 g/mol
Molecular Formula C16H11ClF3NO6S
Exact Mass 436.99477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID f1A98GR13R
Name 5-[({[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl}acetyl)amino]-2-hydroxybenzoic acid
Alternate Name(s) 5-[2-[2-chloranyl-4-(trifluoromethyl)phenyl]sulfonylethanoylamino]-2-oxidanyl-benzoic acid 5-[[2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-1-oxoethyl]amino]-2-hydroxybenzoic acid 5-[[2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylacetyl]amino]-2-hydroxy-benzoic acid
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Formula C16H11ClF3NO6S
InChI InChI=1S/C16H11ClF3NO6S/c17-11-5-8(16(18,19)20)1-4-13(11)28(26,27)7-14(23)21-9-2-3-12(22)10(6-9)15(24)25/h1-6,22H,7H2,(H,21,23)(H,24,25)
InChIKey RMMBUZNWGAGDEX-UHFFFAOYSA-N
Molecular Weight 437.773 g/mol
SMILES Oc1c(cc(cc1)NC(CS(c1c(cc(C(F)(F)F)cc1)Cl)(=O)=O)=O)C(=O)O
SPLASH splash10-00o9-2920100000-599e817c43793b7aab48
Wiley ID 1442994