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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O2.C6H15NO3
Molecular Weight 271.3095
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIETHANOLAMINE BENZOATE

SMILES

OC(=O)C1=CC=CC=C1.OCCN(CCO)CCO

InChI

InChIKey=LBCOWMYTAXJNER-UHFFFAOYSA-N
InChI=1S/C7H6O2.C6H15NO3/c8-7(9)6-4-2-1-3-5-6;8-4-1-7(2-5-9)3-6-10/h1-5H,(H,8,9);8-10H,1-6H2

HIDE SMILES / InChI

Molecular Formula C6H15NO3
Molecular Weight 149.1882
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H6O2
Molecular Weight 122.1213
Charge 0
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
M3EN4GC19W
Record Status Validated (UNII)
Record Version