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CHEBI:167180 - 4-isopropylphenyl sulfate

ChEBI IDCHEBI:167180
ChEBI Name4-isopropylphenyl sulfate
Stars
DefinitionAn aryl sulfate that is benzene substituted by a propan-2-yl group at position 1 and by a sulfooxy group at position 4.
Last Modified8 January 2021
SubmitterAdnan
DownloadsMolfile
FormulaC9H12O4S
Net Charge0
Average Mass216.258
Monoisotopic Mass216.04563
SMILESCC(C)c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C9H12O4S/c1-7(2)8-3-5-9(6-4-8)13-14(10,11)12/h3-7H,1-2H3,(H,10,11,12)
InChIKeyATVYHUAANHMUAO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-isopropylphenyl sulfate (CHEBI:167180) has functional parent 4-isopropylphenol (CHEBI:167172)
4-isopropylphenyl sulfate (CHEBI:167180) is a aryl sulfate (CHEBI:37919)
4-isopropylphenyl sulfate (CHEBI:167180) is a benzenes (CHEBI:22712)
4-isopropylphenyl sulfate (CHEBI:167180) is conjugate acid of 4-isopropylphenyl sulfate(1−) (CHEBI:167173)
Incoming Relation(s)
4-isopropylphenyl sulfate(1−) (CHEBI:167173) is conjugate base of 4-isopropylphenyl sulfate (CHEBI:167180)
IUPAC Name 
4-(propan-2-yl)phenyl hydrogen sulfate
Synonym  Source
4-isopropylphenyl hydrogen sulfateChEBI