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

Details

Stereochemistry ACHIRAL
Molecular Formula C33H54O6
Molecular Weight 546.7783
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIISOOCTYL TRIMELLITATE

SMILES

CC(C)CCCCCOC(=O)C1=CC=C(C(=O)OCCCCCC(C)C)C(=C1)C(=O)OCCCCCC(C)C

InChI

InChIKey=WDRCVXGINNJWPH-UHFFFAOYSA-N
InChI=1S/C33H54O6/c1-25(2)16-10-7-13-21-37-31(34)28-19-20-29(32(35)38-22-14-8-11-17-26(3)4)30(24-28)33(36)39-23-15-9-12-18-27(5)6/h19-20,24-27H,7-18,21-23H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C33H54O6
Molecular Weight 546.7783
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 Sat Dec 16 08:02:21 GMT 2023
Edited
by admin
on Sat Dec 16 08:02:21 GMT 2023
Record UNII
CX7AKB1590
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIISOOCTYL TRIMELLITATE
Common Name English
1,2,4-BENZENETRICARBOXYLIC ACID, 1,2,4-TRIISOOCTYL ESTER
Systematic Name English
TRIMELLITIC ACID, TRIISOOCTYL ESTER
Systematic Name English
1,2,4-BENZENETRICARBOXYLIC ACID, TRIISOOCTYL ESTER
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
248-365-7
Created by admin on Sat Dec 16 08:02:21 GMT 2023 , Edited by admin on Sat Dec 16 08:02:21 GMT 2023
PRIMARY
PUBCHEM
21871905
Created by admin on Sat Dec 16 08:02:21 GMT 2023 , Edited by admin on Sat Dec 16 08:02:21 GMT 2023
PRIMARY
CAS
27251-75-8
Created by admin on Sat Dec 16 08:02:21 GMT 2023 , Edited by admin on Sat Dec 16 08:02:21 GMT 2023
PRIMARY
FDA UNII
CX7AKB1590
Created by admin on Sat Dec 16 08:02:21 GMT 2023 , Edited by admin on Sat Dec 16 08:02:21 GMT 2023
PRIMARY