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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > naphthalenes > (1r,2r)-3-[(1,2-dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > naphthalenes > (1r,2r)-3-[(1,2-dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid

Preferred term

(1r,2r)-3-[(1,2-dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C13H12O4S

inchi

  • InChI=1S/C13H12O4S/c14-10-6-5-8-3-1-2-4-9(8)12(10)18-7-11(15)13(16)17/h1-6,10,12,14H,7H2,(H,16,17)/t10-,12-/m1/s1

inchikey

  • QXVZFNDFYUXZBW-ZYHUDNBSSA-N

mass

  • 264.299

monoisotopicmass

  • 264.04563

smiles

  • O[C@@H]1C=Cc2ccccc2[C@H]1SCC(=O)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:33997

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