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CHEBI:4286 - 4,4'-diisothiocyano-trans-stilbene-2,2'-disulfonic acid

ChEBI IDCHEBI:4286
ChEBI Name4,4'-diisothiocyano-trans-stilbene-2,2'-disulfonic acid
Stars
ASCII Name4,4'-diisothiocyano-trans-stilbene-2,2'-disulfonic acid
Last Modified25 September 2006
DownloadsMolfile
FormulaC16H10N2O6S4
Net Charge0
Average Mass454.532
Monoisotopic Mass453.94217
SMILESO=S(=O)(O)c1cc(N=C=S)ccc1/C=C/c1ccc(N=C=S)cc1S(=O)(=O)O
InChIInChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+
InChIKeyYSCNMFDFYJUPEF-OWOJBTEDSA-N
ChEBI Ontology
Outgoing Relation(s)
4,4'-diisothiocyano-trans-stilbene-2,2'-disulfonic acid (CHEBI:4286) is a 4,4'-diisothiocyanostilbene-2,2'-disulfonic acid (CHEBI:36511)
IUPAC Name 
5,5'-diisothiocyanato-2,2'-[(1E)-ethene-1,2-diyl]dibenzenesulfonic acid
Synonyms  Source
DIDSKEGG COMPOUND
4,4'-Diisothiocyanostilbene-2,2'-disulfonic acidKEGG COMPOUND
2,2'-(E)-ethene-1,2-diylbis(5-isothiocyanatobenzenesulfonic acid)IUPAC
Manual XrefsDatabases
C11591KEGG COMPOUND
Registry NumbersSources
Beilstein:5385887Beilstein
CAS:53005-05-3KEGG COMPOUND
CAS:53005-05-3ChemIDplus