Pentaerythritol tribehenate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C71H138O7
Molecular Weight	1103.8512
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pentaerythritol tribehenate

Structure Search

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChIKey=VKOJUMXWQCTCFG-UHFFFAOYSA-N

InChI=1S/C71H138O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-68(73)76-65-71(64-72,66-77-69(74)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)67-78-70(75)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h72H,4-67H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C71H138O7
Molecular Weight	1103.8512
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 `Tue Apr 01 19:15:26 GMT 2025` Edited by `admin` on `Tue Apr 01 19:15:26 GMT 2025`
Record UNII	ECS5954MJA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(Hydroxymethyl)-2-[[(1-oxodocosyl)oxy]methyl]propane-1,3-diyl didocosanoate

Preferred Name

English

Pentaerythritol tribehenate

Common Name

English

Docosanoic acid, 2-(hydroxymethyl)-2-[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60196478