EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120778 - 4-chlorobenzenesulfonic acid [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] ester

ChEBI IDCHEBI:120778
ChEBI Name4-chlorobenzenesulfonic acid [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] ester
Stars
DownloadsMolfile
FormulaC25H21ClO6S
Net Charge0
Average Mass484.957
Monoisotopic Mass484.07474
SMILESO=C1CCCC2=C1C(c1ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc1)C1=C(CCCC1=O)O2
InChIInChI=1S/C25H21ClO6S/c26-16-9-13-18(14-10-16)33(29,30)32-17-11-7-15(8-12-17)23-24-19(27)3-1-5-21(24)31-22-6-2-4-20(28)25(22)23/h7-14,23H,1-6H2
InChIKeyMLUHBNBLLWQMDJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chlorobenzenesulfonic acid [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] ester (CHEBI:120778) is a benzenesulfonate ester (CHEBI:83352)
Manual XrefsDatabases
LSM-32220LINCS