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CHEBI:10576 - (3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene

ChEBI IDCHEBI:10576
ChEBI Name(3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene
Stars
ASCII Name(3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene
DefinitionA chlorocyclohexene that is cyclohexene which carries 5 chlorines at positions 1,3,4,5 and 6, respectively. It has (3R,4S,5S,6R) configuration.
Last Modified2 November 2018
DownloadsMolfile
FormulaC6H5Cl5
Net Charge0
Average Mass254.371
Monoisotopic Mass251.88339
SMILESClC1=C[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
InChIInChI=1S/C6H5Cl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4-6H/t2-,4+,5+,6+/m1/s1
InChIKeyMQYAVRUCONBHOR-JSTMLOLSSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene (CHEBI:10576) is a chlorocyclohexene (CHEBI:23139)
(3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene (CHEBI:10576) is enantiomer of (3S,4R,5R,6S)-1,3,4,5,6-pentachlorocyclohexene (CHEBI:142493)
Incoming Relation(s)
rac-γ-pentachlorocyclohexene (CHEBI:142492) has part (3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene (CHEBI:10576)
(3S,4R,5R,6S)-1,3,4,5,6-pentachlorocyclohexene (CHEBI:142493) is enantiomer of (3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene (CHEBI:10576)
IUPAC Name 
(3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene
Synonyms  Source
3(R),4(S),5(S),6(R)-PCCHChEBI
(1,3R,4S,5S,6R)-pentachlorocyclohexeneChEBI
1,3(R),4(S),5(S),6(R)-PCCHChEBI
UniProt Name  Source
(3R,4S,5S,6R)-pentachlorocyclohexeneUniProt
Citations