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CHEBI:141409 - (1S,5R)-benzobicyclon hydrolysate

ChEBI IDCHEBI:141409
ChEBI Name(1S,5R)-benzobicyclon hydrolysate
Stars
ASCII Name(1S,5R)-benzobicyclon hydrolysate
DefinitionA 3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one that has (1S,5R) configuration. The herbicide benzobicyclon hydrolysate is a racemate consisting of equimolar amounts of this compound and its enantiomer.
Last Modified10 May 2019
SubmitterAdnan
DownloadsMolfile
FormulaC16H15ClO5S
Net Charge0
Average Mass354.811
Monoisotopic Mass354.03287
SMILESCS(=O)(=O)c1ccc(C(=O)C2=C(O)[C@@H]3CC[C@@H](C3)C2=O)c(Cl)c1
InChIInChI=1S/C16H15ClO5S/c1-23(21,22)10-4-5-11(12(17)7-10)16(20)13-14(18)8-2-3-9(6-8)15(13)19/h4-5,7-9,18H,2-3,6H2,1H3/t8-,9+/m1/s1
InChIKeySGSXVTQBXFCKBP-BDAKNGLRSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-benzobicyclon hydrolysate (CHEBI:141409) is a 3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one (CHEBI:141415)
(1S,5R)-benzobicyclon hydrolysate (CHEBI:141409) is enantiomer of (1R,5S)-benzobicyclon hydrolysate (CHEBI:141408)
Incoming Relation(s)
benzobicyclon hydrolysate (CHEBI:141389) has part (1S,5R)-benzobicyclon hydrolysate (CHEBI:141409)
(1R,5S)-benzobicyclon hydrolysate (CHEBI:141408) is enantiomer of (1S,5R)-benzobicyclon hydrolysate (CHEBI:141409)
IUPAC Name 
(1S,5R)-3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one