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Butonate

PropertiesImage
MNX_IDMNXM45010 Image of MNXM45010
referencechebi:82106
formulaC8H14Cl3O5P
global charge0
mol weight327.528
InChIKeyBKAQXYNWONVOAX-UHFFFAOYSA-N
InChIInChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3
SMILESCCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC
MNX internals
InChI (mnx)InChI=1/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3/t7? Image of MNXM45010
SMILES (mnx)[CH3:1][CH2:4][CH2:5][C:6](=[O:12])[O:16][CH:7]([C:8]([Cl:9])([Cl:10])[Cl:11])[P:17](=[O:13])([O:14][CH3:2])[O:15][CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd20227
seedM:cpd20227
CHEBI:82106
chebi:82106
kegg.compound:C18967
keggC:C18967
BKAQXYNWONVOAX-UHFFFAOYSA-N 		Butonate

kegg.drug:D03194
keggD:D03194
BKAQXYNWONVOAX-UHFFFAOYSA-N 		Butonate (USAN/INN)

keggC:M_C18967
keggD:M_D03194
seedM:M_cpd20227 		secondary/obsolete/fantasy identifier