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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organobromine compound > patulin-4-bromothiophenol adduct
organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > patulin-4-bromothiophenol adduct
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > patulin-4-bromothiophenol adduct
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > patulin-4-bromothiophenol adduct
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > patulin-4-bromothiophenol adduct
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > patulin-4-bromothiophenol adduct

Preferred term

patulin-4-bromothiophenol adduct  

Type

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

Broader concept

charge

  • 0

formula

  • C19H16Br2O4S2

has_functional_parent

has_role

inchi

  • InChI=1S/C19H16Br2O4S2/c20-13-1-5-15(6-2-13)26-11-12(9-18(23)24)19(25)17(10-22)27-16-7-3-14(21)4-8-16/h1-8,11,17,22H,9-10H2,(H,23,24)/b12-11-

inchikey

  • RNRIQUGCLTZZJL-QXMHVHEDSA-N

mass

  • 532.260

monoisotopicmass

  • 529.88568

smiles

  • OCC(SC1=CC=C(Br)C=C1)C(=O)C(/CC(O)=O)=C/SC1=CC=C(Br)C=C1

subset

  • 3_STAR

synonym EXACT

  • (3Z)-5-[(4-bromophenyl)sulfanyl]-3-{[(4-bromophenyl)sulfanyl]methylidene}-6-hydroxy-4-oxohexanoic acid

synonym RELATED

  • (3Z)-5-[(4-bromophenyl)sulfanyl]-3-{[(4-bromophenyl)sulfanyl]methylene}-6-hydroxy-4-oxohexanoic acid
  • (3Z)-5-[(4-bromophenyl)thio]-3-[[(4-bromophenyl)thio]methylene]-6-hydroxy-4-oxohexanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189530

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