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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid
ChEBI ID CHEBI:34383
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H14N2O7S3
Net Charge 0
Average Mass 454.501
Monoisotopic Mass 453.99631
InChI InChI=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+
InChIKey YJCCSLGGODRWKK-NSCUHMNNSA-N
SMILES CC(=O)Nc1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)N=C=S)c(c1)S(O)(=O)=O
ChEBI Ontology
Outgoing 4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid (CHEBI:34383) is a stilbenoid (CHEBI:26776)
Synonyms Sources
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid KEGG COMPOUND
SITS KEGG COMPOUND
Manual Xref Database
C13702 KEGG COMPOUND
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Registry Number Type Source
27816-59-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014