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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > thiophenecarboxylic acid > 6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > thiophenecarboxylic acid > 6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid

Preferred term

6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C12H14O3S2

inchi

  • InChI=1S/C12H14O3S2/c1-12(2)4-6-8(7(13)5-12)11(16-3)17-9(6)10(14)15/h4-5H2,1-3H3,(H,14,15)

inchikey

  • XOXHNCQEJNHCDW-UHFFFAOYSA-N

mass

  • 270.370

monoisotopicmass

  • 270.03844

smiles

  • CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)O)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93049

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