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CHEBI:82871 - (S)-econazole nitrate

ChEBI IDCHEBI:82871
ChEBI Name(S)-econazole nitrate
Stars
ASCII Name(S)-econazole nitrate
DefinitionAn organic nitrate salt prepared from equimolar amounts of (S)-econazole and nitric acid.
Last Modified9 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H15Cl3N2O.HNO3
Net Charge0
Average Mass444.702
Monoisotopic Mass443.02064
SMILESClc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O
InChIInChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)/t18-;/m1./s1
InChIKeyDDXORDQKGIZAME-GMUIIQOCSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-econazole nitrate (CHEBI:82871) has part (S)-econazole (CHEBI:82872)
(S)-econazole nitrate (CHEBI:82871) is a organic nitrate salt (CHEBI:51085)
(S)-econazole nitrate (CHEBI:82871) is enantiomer of (R)-econazole nitrate (CHEBI:82870)
Incoming Relation(s)
econazole nitrate (CHEBI:4755) has part (S)-econazole nitrate (CHEBI:82871)
(R)-econazole nitrate (CHEBI:82870) is enantiomer of (S)-econazole nitrate (CHEBI:82871)
IUPAC Name 
1-[(2S)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate