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Details

Stereochemistry ACHIRAL
Molecular Formula C13H22N.C8H4Cl3O3
Molecular Weight 446.795
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate

SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.[O-]C(=O)COC2=C(Cl)C=C(Cl)C(Cl)=C2

InChI

InChIKey=ZTSLIJUUEDHJDG-UHFFFAOYSA-M
InChI=1S/C13H22N.C8H5Cl3O3/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h7-11H,4-6,12H2,1-3H3;1-2H,3H2,(H,12,13)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C8H4Cl3O3
Molecular Weight 254.475
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H22N
Molecular Weight 192.3205
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:55:31 UTC 2023
Edited
by admin
on Sat Dec 16 12:55:31 UTC 2023
Record UNII
S8A4EZ4JHV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ammonium, benzyltriethyl-, 2,4,5-trichlorophenoxyacetate
Systematic Name English
NSC-221297
Code English
Ammonium, (benzyltriethyl)-, 2,4,5-(trichlorophenoxy)acetate
Systematic Name English
Benzenemethanaminium, N,N,N-triethyl-, salt with (2,4,5-trichlorophenoxy)acetic acid (1:1)
Common Name English
Benzyltriethylammonium 2,4,5-trichlorophenoxyacetate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70223941
Created by admin on Sat Dec 16 12:55:31 UTC 2023 , Edited by admin on Sat Dec 16 12:55:31 UTC 2023
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NSC
221297
Created by admin on Sat Dec 16 12:55:31 UTC 2023 , Edited by admin on Sat Dec 16 12:55:31 UTC 2023
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PUBCHEM
52132
Created by admin on Sat Dec 16 12:55:31 UTC 2023 , Edited by admin on Sat Dec 16 12:55:31 UTC 2023
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FDA UNII
S8A4EZ4JHV
Created by admin on Sat Dec 16 12:55:31 UTC 2023 , Edited by admin on Sat Dec 16 12:55:31 UTC 2023
PRIMARY
CAS
73680-72-5
Created by admin on Sat Dec 16 12:55:31 UTC 2023 , Edited by admin on Sat Dec 16 12:55:31 UTC 2023
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