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Benzoic acid, 4,4'-[(methylimino)disulfonyl]bis-, dimethyl ester
SpectraBase Compound ID BcEDX0M0qxv
InChI InChI=1S/C17H17NO8S2/c1-18(27(21,22)14-8-4-12(5-9-14)16(19)25-2)28(23,24)15-10-6-13(7-11-15)17(20)26-3/h4-11H,1-3H3
InChIKey ULKNHFZPCGWKFP-UHFFFAOYSA-N
Mol Weight 427.44 g/mol
Molecular Formula C17H17NO8S2
Exact Mass 427.039559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ukn034A3cJ
Name Benzoic acid, 4,4'-[(methylimino)disulfonyl]bis-, dimethyl ester
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Formula C17H17NO8S2
InChI InChI=1S/C17H17NO8S2/c1-18(27(21,22)14-8-4-12(5-9-14)16(19)25-2)28(23,24)15-10-6-13(7-11-15)17(20)26-3/h4-11H,1-3H3
InChIKey ULKNHFZPCGWKFP-UHFFFAOYSA-N
Molecular Weight 427.442 g/mol
SMILES COC(=O)c1ccc(cc1)S(=O)(=O)N(C)S(=O)(=O)c1ccc(cc1)C(=O)OC
SPLASH splash10-03ds-1931000000-ef94523de4f5c5ce2d7a
Source of Spectrum JX-2015-4-357
Synonyms Dimethyl 4,4'-((hydrosulfonyl(methyl)amino)sulfonyl)dibenzoate Methyl 4-[{[4-(methoxycarbonyl)phenyl]sulfonyl}(methyl)sulfamoyl]benzoate 4-[(4-methoxycarbonylphenyl)sulfonyl-methylsulfamoyl]benzoic acid methyl ester Methyl 4-[(4-methoxycarbonylphenyl)sulfonyl-methylsulfamoyl]benzoate Methyl 4-[(4-methoxycarbonylphenyl)sulfonyl-methyl-sulfamoyl]benzoate
Wiley ID 1725799