TRIISOBUTYL BENZENE-1,2,4-TRICARBOXYLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H30O6
Molecular Weight	378.4593
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRIISOBUTYL BENZENE-1,2,4-TRICARBOXYLATE

Structure Search

SMILES

CC(C)COC(=O)C1=CC=C(C(=O)OCC(C)C)C(=C1)C(=O)OCC(C)C

InChI

InChIKey=GQBWSGXZXIZPAF-UHFFFAOYSA-N

InChI=1S/C21H30O6/c1-13(2)10-25-19(22)16-7-8-17(20(23)26-11-14(3)4)18(9-16)21(24)27-12-15(5)6/h7-9,13-15H,10-12H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C21H30O6
Molecular Weight	378.4593
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 12:40:19 GMT 2025` Edited by `admin` on `Wed Apr 02 12:40:19 GMT 2025`
Record UNII	J2NK94PC39
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2,4-BENZENETRICARBOXYLIC ACID, TRIISOBUTYL ESTER

Preferred Name

English

TRIISOBUTYL BENZENE-1,2,4-TRICARBOXYLATE

Systematic Name

English

Code System Code Type Description

CAS

1528-52-5

Created by admin on Wed Apr 02 12:40:19 GMT 2025 , Edited by admin on Wed Apr 02 12:40:19 GMT 2025

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PUBCHEM

73719

Created by admin on Wed Apr 02 12:40:19 GMT 2025 , Edited by admin on Wed Apr 02 12:40:19 GMT 2025

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FDA UNII

J2NK94PC39

Created by admin on Wed Apr 02 12:40:19 GMT 2025 , Edited by admin on Wed Apr 02 12:40:19 GMT 2025

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ECHA (EC/EINECS)

216-209-7

Created by admin on Wed Apr 02 12:40:19 GMT 2025 , Edited by admin on Wed Apr 02 12:40:19 GMT 2025

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EPA CompTox

DTXSID20165125

Created by admin on Wed Apr 02 12:40:19 GMT 2025 , Edited by admin on Wed Apr 02 12:40:19 GMT 2025

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