U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C33H62O4
Molecular Weight 522.843
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PENTADECYL TETRADECYL FUMARATE

SMILES

CCCCCCCCCCCCCCCOC(=O)\C=C\C(=O)OCCCCCCCCCCCCCC

InChI

InChIKey=ZIADINZAGRZLQR-ZQHSETAFSA-N
InChI=1S/C33H62O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-37-33(35)29-28-32(34)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h28-29H,3-27,30-31H2,1-2H3/b29-28+

HIDE SMILES / InChI

Molecular Formula C33H62O4
Molecular Weight 522.843
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
824XG5S80W
Record Status Validated (UNII)
Record Version