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CHEBI:125605 - (3-propyl-1H-indol-5-yl)methanesulfonic acid

ChEBI IDCHEBI:125605
ChEBI Name(3-propyl-1H-indol-5-yl)methanesulfonic acid
Stars
ASCII Name(3-propyl-1H-indol-5-yl)methanesulfonic acid
DefinitionA member of the class of indoles that is 1H-indole which is substituted by a propyl group at position 3 and by a sulfomethyl group at position 5.
Last Modified20 May 2020
DownloadsMolfile
FormulaC12H15NO3S
Net Charge0
Average Mass253.323
Monoisotopic Mass253.07726
SMILESCCCc1cnc2ccc(CS(=O)(=O)O)cc12
InChIInChI=1S/C12H15NO3S/c1-2-3-10-7-13-12-5-4-9(6-11(10)12)8-17(14,15)16/h4-7,13H,2-3,8H2,1H3,(H,14,15,16)
InChIKeyWYFJNQLEVJHNQH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(3-propyl-1H-indol-5-yl)methanesulfonic acid (CHEBI:125605) is a indoles (CHEBI:24828)
(3-propyl-1H-indol-5-yl)methanesulfonic acid (CHEBI:125605) is a organosulfonic acid (CHEBI:33551)
IUPAC Name 
(3-propyl-1H-indol-5-yl)methanesulfonic acid
Manual XrefsDatabases
LSM-37151LINCS