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CHEBI:83375 - 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate

ChEBI IDCHEBI:83375
ChEBI Name2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate
Stars
ASCII Name2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate
DefinitionAn enoate ester obtained by formal condensation of the carboxy group of 3-methylacrylic acid with the phenolic hydroxy group of 2,4-dinitro-6-(octan-2-yl)phenol.
Last Modified18 September 2018
SubmitterSteve
DownloadsMolfile
FormulaC18H24N2O6
Net Charge0
Average Mass364.398
Monoisotopic Mass364.16344
SMILESC/C=C/C(=O)Oc1c(C(C)CCCCCC)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
InChIKeyNIOPZPCMRQGZCE-WEVVVXLNSA-N
ChEBI Ontology
Outgoing Relation(s)
2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate (CHEBI:83375) is a C-nitro compound (CHEBI:35716)
2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate (CHEBI:83375) is a enoate ester (CHEBI:51702)
Incoming Relation(s)
(R)-meptyldinocap (CHEBI:83376) is a 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate (CHEBI:83375)
(S)-meptyldinocap (CHEBI:83378) is a 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate (CHEBI:83375)
IUPAC Name 
2,4-dinitro-6-(octan-2-yl)phenyl (2E)-but-2-enoate
Manual XrefsDatabases
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