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Details

Stereochemistry ACHIRAL
Molecular Formula 4C18H31O2.Zr
Molecular Weight 1208.974
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 8
Charge 0

SHOW SMILES / InChI
Structure of ZIRCONIUM LINOLEATE

SMILES

[Zr+4].CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O.CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O.CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O.CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O

InChI

InChIKey=FHKLMBANUTXHKQ-LPPMGWMRSA-J
InChI=1S/4C18H32O2.Zr/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;;;+4/p-4/b4*7-6-,10-9-;

HIDE SMILES / InChI

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 C18H31O2
Molecular Weight 279.4375
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:00:39 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:39 GMT 2023
Record UNII
FIB1ZXQ454
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZIRCONIUM LINOLEATE
Common Name English
9,12-OCTADECADIENOIC ACID (9Z,12Z)-, ZIRCONIUM(4+) SALT
Systematic Name English
Code System Code Type Description
CAS
1050205-52-1
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
FIB1ZXQ454
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
PRIMARY
CAS
42040-80-2
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
PRIMARY
PUBCHEM
122706867
Created by admin on Sat Dec 16 10:00:39 GMT 2023 , Edited by admin on Sat Dec 16 10:00:39 GMT 2023
PRIMARY