2-((3-((2-ETHYLHEXANOYL)OXY)-2-(((2-ETHYLHEXANOYL)OXY)METHYL)-2-(((ISONONANOYL)OXY)METHYL)PROPOXY)METHYL)-2-(((2-ETHYLHEXANOYL)OXY)METHYL)PROPANE-1,3-DIYL BIS(ISONONANOATE)

Details

Stereochemistry	MIXED
Molecular Formula	C61H112O13
Molecular Weight	1053.5342
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((3-((2-ETHYLHEXANOYL)OXY)-2-(((2-ETHYLHEXANOYL)OXY)METHYL)-2-(((ISONONANOYL)OXY)METHYL)PROPOXY)METHYL)-2-(((2-ETHYLHEXANOYL)OXY)METHYL)PROPANE-1,3-DIYL BIS(ISONONANOATE)

Structure Search

SMILES

CCCCC(CC)C(=O)OCC(COCC(COC(=O)CCCCCC(C)C)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C

InChI

InChIKey=ATDCVWYXPQZTCI-UHFFFAOYSA-N

InChI=1S/C61H112O13/c1-13-19-34-51(16-4)57(65)72-45-60(42-69-54(62)37-28-22-25-31-48(7)8,43-70-55(63)38-29-23-26-32-49(9)10)40-68-41-61(46-73-58(66)52(17-5)35-20-14-2,47-74-59(67)53(18-6)36-21-15-3)44-71-56(64)39-30-24-27-33-50(11)12/h48-53H,13-47H2,1-12H3

HIDE SMILES / InChI

Molecular Formula	C61H112O13
Molecular Weight	1053.5342
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 `Mon Mar 31 23:10:48 GMT 2025` Edited by `admin` on `Mon Mar 31 23:10:48 GMT 2025`
Record UNII	9375PQ417F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIPENTAERYTHRITYL 1,2,1'-TRIS(2-ETHYLHEXANOATE)-3,2'3'-TRIS(ISONONANOATE)

Preferred Name

English

2-((3-((2-ETHYLHEXANOYL)OXY)-2-(((2-ETHYLHEXANOYL)OXY)METHYL)-2-(((ISONONANOYL)OXY)METHYL)PROPOXY)METHYL)-2-(((2-ETHYLHEXANOYL)OXY)METHYL)PROPANE-1,3-DIYL BIS(ISONONANOATE)

Common Name

English

Code System Code Type Description

PUBCHEM

109384

Created by admin on Mon Mar 31 23:10:48 GMT 2025 , Edited by admin on Mon Mar 31 23:10:48 GMT 2025

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FDA UNII

9375PQ417F

Created by admin on Mon Mar 31 23:10:48 GMT 2025 , Edited by admin on Mon Mar 31 23:10:48 GMT 2025

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