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Benzoic acid, 2,2'-[methylenebis(sulfonylimino)]bis-, dimethyl ester
SpectraBase Compound ID 3YQdyKNAeu0
InChI InChI=1S/C17H18N2O8S2/c1-26-16(20)12-7-3-5-9-14(12)18-28(22,23)11-29(24,25)19-15-10-6-4-8-13(15)17(21)27-2/h3-10,18-19H,11H2,1-2H3
InChIKey QXHOMCKHGOKJQY-UHFFFAOYSA-N
Mol Weight 442.46 g/mol
Molecular Formula C17H18N2O8S2
Exact Mass 442.050458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAPOnvnZlyG
Name Benzoic acid, 2,2'-[methylenebis(sulfonylimino)]bis-, dimethyl ester
Alternate Name(s) Dimethyl 2,2'-(methylenedisulfonylbis(azanediyl))dibenzoate Dimethyl 2,2'-[methanediylbis(sulfonylimino)]dibenzoate 2-[(2-methoxycarbonylphenyl)sulfamoylmethylsulfonylamino]benzoic acid methyl ester Methyl 2-[(2-methoxycarbonylphenyl)sulfamoylmethylsulfonylamino]benzoate
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Formula C17H18N2O8S2
InChI InChI=1S/C17H18N2O8S2/c1-26-16(20)12-7-3-5-9-14(12)18-28(22,23)11-29(24,25)19-15-10-6-4-8-13(15)17(21)27-2/h3-10,18-19H,11H2,1-2H3
InChIKey QXHOMCKHGOKJQY-UHFFFAOYSA-N
Molecular Weight 442.457 g/mol
SMILES N(c1c(C(OC)=O)cccc1)S(CS(=O)(=O)Nc1ccccc1C(=O)OC)(=O)=O
SPLASH splash10-0fdo-4900300000-842138b90950875f87b8
Source of Spectrum JX-2015-4-509
Wiley ID 1725941