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Details

Stereochemistry ACHIRAL
Molecular Formula C19H20O6
Molecular Weight 344.3585
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentaerythritol dibenzoate

SMILES

OCC(CO)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2

InChI

InChIKey=JJUSZGHCZMBOEQ-UHFFFAOYSA-N
InChI=1S/C19H20O6/c20-11-19(12-21,13-24-17(22)15-7-3-1-4-8-15)14-25-18(23)16-9-5-2-6-10-16/h1-10,20-21H,11-14H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Pentaerythritol dibenzoate
Common Name English
1,3-Propanediol, 2-[(benzoyloxy)methyl]-2-(hydroxymethyl)-, 1-benzoate
Preferred Name English
2,2-Bis(phenylcarboxymethyl)propane-1,3-diol
Systematic Name English
2,2-Bis(benzoyloxymethyl)-1,3-propanediol
Systematic Name English
2,2-Bis(hydroxymethyl)propane-1,3-diyl dibenzoate
Systematic Name English
Code System Code Type Description
FDA UNII
LP67735SF9
Created by admin on Wed Apr 02 19:46:31 GMT 2025 , Edited by admin on Wed Apr 02 19:46:31 GMT 2025
PRIMARY
PUBCHEM
3059456
Created by admin on Wed Apr 02 19:46:31 GMT 2025 , Edited by admin on Wed Apr 02 19:46:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID60227397
Created by admin on Wed Apr 02 19:46:31 GMT 2025 , Edited by admin on Wed Apr 02 19:46:31 GMT 2025
PRIMARY
CAS
39449-02-0
Created by admin on Wed Apr 02 19:46:31 GMT 2025 , Edited by admin on Wed Apr 02 19:46:31 GMT 2025
GENERIC (FAMILY)
CAS
76597-90-5
Created by admin on Wed Apr 02 19:46:31 GMT 2025 , Edited by admin on Wed Apr 02 19:46:31 GMT 2025
PRIMARY
NIH
NCATS
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