TRIMELLITIC ACID TRI-N-BUTYL ESTER

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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 TRIMELLITIC ACID TRI-N-BUTYL ESTER

Structure Search

SMILES

CCCCOC(=O)C1=CC(C(=O)OCCCC)=C(C=C1)C(=O)OCCCC

InChI

InChIKey=RJIFVNWOLLIBJV-UHFFFAOYSA-N

InChI=1S/C21H30O6/c1-4-7-12-25-19(22)16-10-11-17(20(23)26-13-8-5-2)18(15-16)21(24)27-14-9-6-3/h10-11,15H,4-9,12-14H2,1-3H3

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 `Mon Mar 31 22:08:24 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:24 GMT 2025`
Record UNII	YK7E10APJM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIMELLITIC ACID TRI-N-BUTYL ESTER

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID50169353

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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PUBCHEM

74411

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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ECHA (EC/EINECS)

217-038-0

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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FDA UNII

YK7E10APJM

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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CAS

1726-23-4

Created by admin on Mon Mar 31 22:08:24 GMT 2025 , Edited by admin on Mon Mar 31 22:08:24 GMT 2025

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