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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > n-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > n-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane
organic aromatic compound > aromatic carboxylic acid > benzoic acids > n-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > n-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane

Preferred term

n-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C13H18N4O6

has_functional_parent

inchi

  • InChI=1S/C13H18N4O6/c14-5-3-1-2-4-6-15-12-10(13(18)19)7-9(16(20)21)8-11(12)17(22)23/h7-8,15H,1-6,14H2,(H,18,19)

inchikey

  • PEGSMPHAYGPKIY-UHFFFAOYSA-N

mass

  • 326.30520

monoisotopicmass

  • 326.12263

smiles

  • NCCCCCCNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 2-[(6-aminohexyl)amino]-3,5-dinitrobenzoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:53649

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