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CHEBI:36511 - 4,4'-diisothiocyanostilbene-2,2'-disulfonic acid

ChEBI IDCHEBI:36511
ChEBI Name4,4'-diisothiocyanostilbene-2,2'-disulfonic acid
Stars
Last Modified25 February 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC16H10N2O6S4
Net Charge0
Average Mass454.532
Monoisotopic Mass453.94217
SMILES[H]C(=C([H])c1ccc(N=C=S)cc1S(=O)(=O)O)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)
InChIKeyYSCNMFDFYJUPEF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid (CHEBI:36511) is a arenesulfonic acid (CHEBI:33555)
Incoming Relation(s)
4,4'-diisothiocyano-cis-stilbene-2,2'-disulfonic acid (CHEBI:36512) is a 4,4'-diisothiocyanostilbene-2,2'-disulfonic acid (CHEBI:36511)
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'-(ethene-1,2-diyl)dibenzenesulfonic acid
Synonym  Source
2,2'-ethene-1,2-diylbis(5-isothiocyanatobenzenesulfonic acid)IUPAC
Manual XrefsDatabases
LSM-4542LINCS
Registry NumbersSources
Beilstein:6543839Beilstein