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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14Cl3O5P
Molecular Weight 327.527
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTONATE, (S)-

SMILES

CCCC(=O)O[C@H](C(Cl)(Cl)Cl)P(=O)(OC)OC

InChI

InChIKey=BKAQXYNWONVOAX-ZETCQYMHSA-N
InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H14Cl3O5P
Molecular Weight 327.527
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:55:56 GMT 2023
Edited
by admin
on Sat Dec 16 01:55:56 GMT 2023
Record UNII
3V5FU46M7F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTONATE, (S)-
Common Name English
BUTANOIC ACID, 2,2,2-TRICHLORO-1-(DIMETHOXYPHOSPHINYL)ETHYL ESTER, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
3V5FU46M7F
Created by admin on Sat Dec 16 01:55:56 GMT 2023 , Edited by admin on Sat Dec 16 01:55:56 GMT 2023
PRIMARY
PUBCHEM
76959976
Created by admin on Sat Dec 16 01:55:56 GMT 2023 , Edited by admin on Sat Dec 16 01:55:56 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER