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1,3-Benzenedicarboxylic acid, 5-[[(2,4,5-trichlorophenyl)sulfonyl]oxy]-, dimethyl ester
SpectraBase Compound ID FpFEQTVUzuh
InChI InChI=1S/C16H11Cl3O7S/c1-24-15(20)8-3-9(16(21)25-2)5-10(4-8)26-27(22,23)14-7-12(18)11(17)6-13(14)19/h3-7H,1-2H3
InChIKey DQZZCLYHQPULSW-UHFFFAOYSA-N
Mol Weight 453.68 g/mol
Molecular Formula C16H11Cl3O7S
Exact Mass 451.929107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4M1b7KxFpY
Name 1,3-Benzenedicarboxylic acid, 5-[[(2,4,5-trichlorophenyl)sulfonyl]oxy]-, dimethyl ester
Alternate Name(s) Dimethyl 5-(((2,4,5-trichlorophenyl)sulfonyl)oxy)isophthalate Dimethyl 5-{[(2,4,5-trichlorophenyl)sulfonyl]oxy}benzene-1,3-dicarboxylate Dimethyl 5-(2,4,5-trichlorophenyl)sulfonyloxybenzene-1,3-dicarboxylate Dimethyl 5-[2,4,5-tris(chloranyl)phenyl]sulfonyloxybenzene-1,3-dicarboxylate
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Formula C16H11Cl3O7S
InChI InChI=1S/C16H11Cl3O7S/c1-24-15(20)8-3-9(16(21)25-2)5-10(4-8)26-27(22,23)14-7-12(18)11(17)6-13(14)19/h3-7H,1-2H3
InChIKey DQZZCLYHQPULSW-UHFFFAOYSA-N
Molecular Weight 453.676 g/mol
SMILES COC(=O)c1cc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc(c1)C(=O)OC
SPLASH splash10-002e-3980200000-f80669424d007faaa8d9
Source of Spectrum JX-2015-4-644
Wiley ID 1726068