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CHEBI:42086 - 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL

Default Structure
ChEBI IDCHEBI:42086
ChEBI Name2-[1-METHYLHEXYL]-4,6-DINITROPHENOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC13H18N2O5
Net Charge0
Average Mass282.296
Monoisotopic Mass282.12157
SMILES[H]Oc1c([N+](=O)[O-])c([H])c([N+](=O)[O-])c([H])c1[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C13H18N2O5/c1-3-4-5-6-9(2)11-7-10(14(17)18)8-12(13(11)16)15(19)20/h7-9,16H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyRROCMCBQTUYDSD-VIFPVBQESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[1-METHYLHEXYL]-4,6-DINITROPHENOL (CHEBI:42086) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-[1-METHYLHEXYL]-4,6-DINITROPHENOLPDBeChem
2-[(1S)-1-methylhexyl]-4,6-dinitrophenolPDBeChem
Manual XrefsDatabases
DNTPDBeChem