TRIHEXYLDECYL CITRATE

Details

Stereochemistry	MIXED
Molecular Formula	C54H104O7
Molecular Weight	865.3994
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCC(CCCCCC)COC(=O)CC(O)(CC(=O)OCC(CCCCCC)CCCCCCCC)C(=O)OCC(CCCCCC)CCCCCCCC

InChI

InChIKey=AIOYXEXTLYLYRU-UHFFFAOYSA-N

InChI=1S/C54H104O7/c1-7-13-19-25-28-34-40-48(37-31-22-16-10-4)45-59-51(55)43-54(58,53(57)61-47-50(39-33-24-18-12-6)42-36-30-27-21-15-9-3)44-52(56)60-46-49(38-32-23-17-11-5)41-35-29-26-20-14-8-2/h48-50,58H,7-47H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C54H104O7
Molecular Weight	865.3994
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:51:35 GMT 2025` Edited by `admin` on `Wed Apr 02 17:51:35 GMT 2025`
Record UNII	3H9QKO17ON
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIHEXYLDECYL CITRATE

Official Name

English

1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, 1,2,3-TRIS(2-HEXYLDECYL) ESTER

Preferred Name

English

Code System Code Type Description

CAS

58200-64-9

Created by admin on Wed Apr 02 17:51:35 GMT 2025 , Edited by admin on Wed Apr 02 17:51:35 GMT 2025

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PUBCHEM

91864449

Created by admin on Wed Apr 02 17:51:35 GMT 2025 , Edited by admin on Wed Apr 02 17:51:35 GMT 2025

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FDA UNII

3H9QKO17ON

Created by admin on Wed Apr 02 17:51:35 GMT 2025 , Edited by admin on Wed Apr 02 17:51:35 GMT 2025

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