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Concept information

Preferred term

2-octenedioic acid  

Type

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

charge

  • 0

formula

  • C8H12O4

inchi

  • InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h3,5H,1-2,4,6H2,(H,9,10)(H,11,12)/b5-3+

inchikey

  • BNTPVRGYUHJFHN-HWKANZROSA-N

mass

  • 172.179

monoisotopicmass

  • 172.07356

smiles

  • OC(=O)CCCC/C=C/C(O)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:89192

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