EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:39300 - propargite

ChEBI IDCHEBI:39300
ChEBI Namepropargite
Stars
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H26O4S
Net Charge0
Average Mass350.480
Monoisotopic Mass350.15518
SMILESC#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3
InChIKeyZYHMJXZULPZUED-UHFFFAOYSA-N
Roles Classification
Application:
ChEBI Ontology
Outgoing Relation(s)
propargite (CHEBI:39300) has role sulfite ester acaricide (CHEBI:39301)
propargite (CHEBI:39300) is a sulfite ester (CHEBI:39088)
propargite (CHEBI:39300) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
2-(4-tert-butylphenoxy)cyclohexyl prop-2-yn-1-yl sulfite
Synonyms  Source
2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulfiteChemIDplus
2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphiteChemIDplus
BPPSChemIDplus
2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl sulfiteChemIDplus
2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfiteChemIDplus
2-(p-t-butylphenoxy)cyclohexyl propargyl sulfiteChemIDplus
Manual XrefsDatabases
C18602KEGG COMPOUND
547PPDB
Registry NumbersSources
Beilstein:6934289Beilstein
CAS:2312-35-8ChemIDplus
CAS:2312-35-8KEGG COMPOUND