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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid > thiazepinedicarboxylic acid > 1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid

Preferred term

1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid  

Type

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

Narrower concepts

charge

  • 0

formula

  • C7H9NO4S

inchi

  • InChI=1S/C7H9NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)

inchikey

  • XJUQJVUYGRTQGI-UHFFFAOYSA-N

mass

  • 203.210

monoisotopicmass

  • 203.02523

smiles

  • OC(=O)C1CCSCC(=N1)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177367

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