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

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ChEBI Name 4-(Propan-2-yl)benzenesulfonic acid
ChEBI ID CHEBI:173469
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H12O3S
Net Charge 0
Average Mass 200.250
Monoisotopic Mass 200.05072
InChI InChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)
InChIKey CVLHGLWXLDOELD-UHFFFAOYSA-N
SMILES S(O)(=O)(=O)C1=CC=C(C(C)C)C=C1
ChEBI Ontology
Outgoing 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 Xref Database
6388 ChemSpider
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Registry Number Type Source
16066-35-6 CAS Registry Number ChemIDplus