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CHEBI:91436 - [2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate

ChEBI IDCHEBI:91436
ChEBI Name[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine, obtained by the deprotonation of the carboxy group. The major species at pH 7.3.
Last Modified19 November 2019
DownloadsMolfile
FormulaC21H24NO8S
Net Charge-1
Average Mass450.489
Monoisotopic Mass450.12281
SMILES[H]C(=C([H])S(=O)(=O)Cc1ccc(OC)c(NCC(=O)[O-])c1)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/p-1
InChIKeyOWBFCJROIKNMGD-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate (CHEBI:91436) is a monocarboxylic acid anion (CHEBI:35757)
[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate (CHEBI:91436) is conjugate base of N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine (CHEBI:124939)
Incoming Relation(s)
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine (CHEBI:124939) is conjugate acid of [2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate (CHEBI:91436)
IUPAC Name 
[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate