Pentaerythritol dibehenate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C49H96O6
Molecular Weight	781.2829
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=WIWNPEDDOAMGGM-UHFFFAOYSA-N

InChI=1S/C49H96O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(52)54-45-49(43-50,44-51)46-55-48(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-46H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C49H96O6
Molecular Weight	781.2829
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 20:32:45 GMT 2025` Edited by `admin` on `Wed Apr 02 20:32:45 GMT 2025`
Record UNII	QB5PA4MA38
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pentaerythritol dibehenate

Common Name

English

Docosanoic acid, diester with pentaerythritol

Preferred Name

English

Docosanoic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester

Systematic Name

English

1,1?-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] didocosanoate

Systematic Name

English

Docosanoic acid, 1,1?-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester

Systematic Name

English

Code System Code Type Description

FDA UNII

QB5PA4MA38