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Details

Stereochemistry ACHIRAL
Molecular Formula C26H24O7
Molecular Weight 448.4646
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentaerythritol tribenzoate

SMILES

OCC(COC(=O)C1=CC=CC=C1)(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

InChI

InChIKey=DVVGOHOPUARRIU-UHFFFAOYSA-N
InChI=1S/C26H24O7/c27-16-26(17-31-23(28)20-10-4-1-5-11-20,18-32-24(29)21-12-6-2-7-13-21)19-33-25(30)22-14-8-3-9-15-22/h1-15,27H,16-19H2

HIDE SMILES / InChI

Molecular Formula C26H24O7
Molecular Weight 448.4646
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:47:27 GMT 2025
Edited
by admin
on Wed Apr 02 19:47:27 GMT 2025
Record UNII
Y27WK4A427
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Propanediol, 2-[(benzoyloxy)methyl]-2-(hydroxymethyl)-, 1,3-dibenzoate
Preferred Name English
Pentaerythritol tribenzoate
Common Name English
[2,2-Bis(benzoyloxymethyl)-3-hydroxypropyl] benzoate
Systematic Name English
Code System Code Type Description
PUBCHEM
11419499
Created by admin on Wed Apr 02 19:47:27 GMT 2025 , Edited by admin on Wed Apr 02 19:47:27 GMT 2025
PRIMARY
CAS
39449-02-0
Created by admin on Wed Apr 02 19:47:27 GMT 2025 , Edited by admin on Wed Apr 02 19:47:27 GMT 2025
GENERIC (FAMILY)
CAS
346446-82-0
Created by admin on Wed Apr 02 19:47:27 GMT 2025 , Edited by admin on Wed Apr 02 19:47:27 GMT 2025
PRIMARY
FDA UNII
Y27WK4A427
Created by admin on Wed Apr 02 19:47:27 GMT 2025 , Edited by admin on Wed Apr 02 19:47:27 GMT 2025
PRIMARY