DIALLYLOXYNEOHEXYL ZIRCONIUM TRINEODECANOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H21O3.3C10H19O2.Zr
Molecular Weight	818.287
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIALLYLOXYNEOHEXYL ZIRCONIUM TRINEODECANOATE

Structure Search

SMILES

[Zr+4].CCCCCCC(C)(C)C([O-])=O.CCCCCCC(C)(C)C([O-])=O.CCCCCCC(C)(C)C([O-])=O.CCC(C[O-])(COCC=C)COCC=C

InChI

InChIKey=DZSNXHKDHIDHNY-UHFFFAOYSA-K

InChI=1S/C12H21O3.3C10H20O2.Zr/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;3*1-4-5-6-7-8-10(2,3)9(11)12;/h4-5H,1-2,6-11H2,3H3;3*4-8H2,1-3H3,(H,11,12);/q-1;;;;+4/p-3

HIDE SMILES / InChI

Molecular Formula	C10H19O2
Molecular Weight	171.2567
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Zr
Molecular Weight	91.224
Charge	4
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C12H21O3
Molecular Weight	213.2933
Charge	-1
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 12:22:12 GMT 2025` Edited by `admin` on `Wed Apr 02 12:22:12 GMT 2025`
Record UNII	T3U3096Q86
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KEN-REACT LZ 01

Preferred Name

English

DIALLYLOXYNEOHEXYL ZIRCONIUM TRINEODECANOATE

Common Name

English

KEN-REACT NZ 01

Brand Name

English

ZIRCONIUM, (2,2-BIS((2-PROPEN-1-YLOXY-.KAPPA.O)METHYL)-1-BUTANOLATO-.KAPPA.O)TRIS(NEODECANOATO-.KAPPA.O)-

Systematic Name

English

ZIRCONIUM, (2,2-BIS((2-PROPENYLOXY-.KAPPA.O)METHYL)-1-BUTANOLATO-.KAPPA.O)TRIS(NEODECANOATO-.KAPPA.O)-

Systematic Name

English

Code System Code Type Description

FDA UNII

T3U3096Q86

Created by admin on Wed Apr 02 12:22:12 GMT 2025 , Edited by admin on Wed Apr 02 12:22:12 GMT 2025

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CAS

110392-54-6

Created by admin on Wed Apr 02 12:22:12 GMT 2025 , Edited by admin on Wed Apr 02 12:22:12 GMT 2025

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PUBCHEM

121494107

Created by admin on Wed Apr 02 12:22:12 GMT 2025 , Edited by admin on Wed Apr 02 12:22:12 GMT 2025

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EPA CompTox

DTXSID20911624

Created by admin on Wed Apr 02 12:22:12 GMT 2025 , Edited by admin on Wed Apr 02 12:22:12 GMT 2025

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