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CHEBI:34383 - 4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid

ChEBI IDCHEBI:34383
ChEBI Name4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H14N2O7S3
Net Charge0
Average Mass454.507
Monoisotopic Mass453.99631
SMILESCC(=O)Nc1ccc(/C=C/c2ccc(N=C=S)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1
InChIInChI=1S/C17H14N2O7S3/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/b3-2+
InChIKeyYJCCSLGGODRWKK-NSCUHMNNSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid (CHEBI:34383) is a stilbenoid (CHEBI:26776)
Synonyms  Source
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acidKEGG COMPOUND
SITSKEGG COMPOUND
Manual XrefsDatabases
C13702KEGG COMPOUND
Registry NumbersSources
CAS:27816-59-7KEGG COMPOUND