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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organobromine compound > patulin-4-bromothiophenol hapten
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > patulin-4-bromothiophenol hapten

Preferred term

patulin-4-bromothiophenol hapten  

Type

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

Broader concept

charge

  • 0

formula

  • C22H21Br2NO5S2

has_functional_parent

has_role

inchi

  • InChI=1S/C22H21Br2NO5S2/c23-15-1-5-17(6-2-15)31-13-14(11-20(27)25-10-9-21(28)29)22(30)19(12-26)32-18-7-3-16(24)4-8-18/h1-8,13,19,26H,9-12H2,(H,25,27)(H,28,29)/b14-13-

inchikey

  • ITBYEGNKUVQYNM-YPKPFQOOSA-N

mass

  • 603.340

monoisotopicmass

  • 600.92279

smiles

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

subset

  • 3_STAR

synonym EXACT

  • N-[(3Z)-5-[(4-bromophenyl)sulfanyl]-3-{[(4-bromophenyl)sulfanyl]methylidene}-6-hydroxy-4-oxohexanoyl]-beta-alanine

synonym RELATED

  • N-[(3Z)-5-[(4-bromophenyl)sulfanyl]-3-{[(4-bromophenyl)sulfanyl]methylene}-6-hydroxy-4-oxohexanoyl]-beta-alanine
  • N-[(3Z)-5-[(4-bromophenyl)thio]-3-[[(4-bromophenyl)thio]methylene]-6-hydroxy-1,4-dioxohexyl]-beta-alanine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189533

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