CHEBI:82111 - Crufomate

ChEBI IDCHEBI:82111
ChEBI NameCrufomate
Stars
DownloadsMolfile
FormulaC12H19ClNO3P
Net Charge0
Average Mass291.715
Monoisotopic Mass291.07911
SMILESCNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)
InChIKeyBOFHKBLZOYVHSI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Crufomate (CHEBI:82111) is a alkylbenzene (CHEBI:38976)
Manual XrefsDatabases
C18972KEGG COMPOUND
D03610KEGG DRUG
1276VSDB
Registry NumbersSources
CAS:299-86-5KEGG COMPOUND