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Details

Stereochemistry ACHIRAL
Molecular Formula C13H22N.C8H4Cl3O3
Molecular Weight 446.795
Optical Activity NONE
Defined Stereocenters 0 / 1
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=CC(Cl)=C(Cl)C=C2Cl

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 C13H22N
Molecular Weight 192.3205
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Record UNII
S8A4EZ4JHV
Record Status Validated (UNII)
Record Version