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CHEBI:83378 - (S)-meptyldinocap

ChEBI IDCHEBI:83378
ChEBI Name(S)-meptyldinocap
Stars
ASCII Name(S)-meptyldinocap
DefinitionA 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate that is the (S)-enantiomer of meptyldinocap.
Last Modified21 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H24N2O6
Net Charge0
Average Mass364.398
Monoisotopic Mass364.16344
SMILESC/C=C/C(=O)Oc1c([C@@H](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+/t13-/m0/s1
InChIKeyNIOPZPCMRQGZCE-NEXMIYJRSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-meptyldinocap (CHEBI:83378) is a 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate (CHEBI:83375)
(S)-meptyldinocap (CHEBI:83378) is enantiomer of (R)-meptyldinocap (CHEBI:83376)
Incoming Relation(s)
meptyldinocap (CHEBI:83372) has part (S)-meptyldinocap (CHEBI:83378)
(R)-meptyldinocap (CHEBI:83376) is enantiomer of (S)-meptyldinocap (CHEBI:83378)
IUPAC Name 
2,4-dinitro-6-[(2S)-octan-2-yl]phenyl (2E)-but-2-enoate