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CHEBI:173469 - 4-(Propan-2-yl)benzenesulfonic acid

ChEBI IDCHEBI:173469
ChEBI Name4-(Propan-2-yl)benzenesulfonic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O3S
Net Charge0
Average Mass200.259
Monoisotopic Mass200.05072
SMILESCC(C)c1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)
InChIKeyCVLHGLWXLDOELD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(Propan-2-yl)benzenesulfonic acid (CHEBI:173469) is a organosulfur compound (CHEBI:33261)
4-(Propan-2-yl)benzenesulfonic acid (CHEBI:173469) is a sulfonic acid derivative (CHEBI:33552)
IUPAC Name 
4-propan-2-ylbenzenesulonic acid
Manual XrefsDatabases
6388ChemSpider
Registry NumbersSources
CAS:16066-35-6ChemIDplus