U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H36O4
Molecular Weight 340.4974
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Di-n-octyl fumarate

SMILES

CCCCCCCCOC(=O)\C=C\C(=O)OCCCCCCCC

InChI

InChIKey=TVWTZAGVNBPXHU-FOCLMDBBSA-N
InChI=1S/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3/b16-15+

HIDE SMILES / InChI

Molecular Formula C20H36O4
Molecular Weight 340.4974
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:53:06 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:06 GMT 2023
Record UNII
4RGP6VBL96
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Di-n-octyl fumarate
Common Name English
Dioctyl fumarate
Common Name English
Dicapryl fumarate
Common Name English
1,4-Dioctyl (2E)-2-butenedioate
Common Name English
2-Butenedioic acid (2E)-, 1,4-dioctyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
5462693
Created by admin on Sat Dec 16 19:53:06 GMT 2023 , Edited by admin on Sat Dec 16 19:53:06 GMT 2023
PRIMARY
CAS
2997-85-5
Created by admin on Sat Dec 16 19:53:06 GMT 2023 , Edited by admin on Sat Dec 16 19:53:06 GMT 2023
PRIMARY
FDA UNII
4RGP6VBL96
Created by admin on Sat Dec 16 19:53:06 GMT 2023 , Edited by admin on Sat Dec 16 19:53:06 GMT 2023
PRIMARY