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Details

Stereochemistry ACHIRAL
Molecular Formula C30H48O6
Molecular Weight 504.6985
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,4-Benzenetricarboxylic acid, triheptyl ester

SMILES

CCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCC)C(=C1)C(=O)OCCCCCCC

InChI

InChIKey=SYKYENWAGZGAFV-UHFFFAOYSA-N
InChI=1S/C30H48O6/c1-4-7-10-13-16-21-34-28(31)25-19-20-26(29(32)35-22-17-14-11-8-5-2)27(24-25)30(33)36-23-18-15-12-9-6-3/h19-20,24H,4-18,21-23H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C30H48O6
Molecular Weight 504.6985
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 Mon Mar 31 23:29:55 GMT 2025
Edited
by admin
on Mon Mar 31 23:29:55 GMT 2025
Record UNII
YTL7N5G4B6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,4-Benzenetricarboxylic acid, triheptyl ester
Common Name English
1,2,4-Benzenetricarboxylic acid, 1,2,4-triheptyl ester
Preferred Name English
1,2,4-Triheptyl 1,2,4-benzenetricarboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
73717
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
FDA UNII
YTL7N5G4B6
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
CAS
1528-48-9
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-207-6
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID60165124
Created by admin on Mon Mar 31 23:29:55 GMT 2025 , Edited by admin on Mon Mar 31 23:29:55 GMT 2025
PRIMARY