EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:135476 - ethyl dibunate

ChEBI IDCHEBI:135476
ChEBI Nameethyl dibunate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H28O3S
Net Charge0
Average Mass348.508
Monoisotopic Mass348.17592
SMILESCCOS(=O)(=O)c1cc(C(C)(C)C)cc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C20H28O3S/c1-8-23-24(21,22)18-13-16(20(5,6)7)12-14-11-15(19(2,3)4)9-10-17(14)18/h9-13H,8H2,1-7H3
InChIKeyZAMACTJOCIFTPJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl dibunate (CHEBI:135476) is a naphthalenesulfonic acid (CHEBI:36336)
Synonyms  Source
tussetsDrugCentral
dibunate ethylDrugCentral
neodyneDrugCentral
Manual XrefsDatabases
3197DrugCentral
Registry NumbersSources
CAS:5560-69-0DrugCentral