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Details

Stereochemistry MIXED
Molecular Formula C21H35O4.K
Molecular Weight 390.5985
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM 5-CARBOXY-4-HEXYLCYCLOHEX-2-ENE-1-OCTANOATE

SMILES

[K+].CCCCCCC1C=CC(CCCCCCCC([O-])=O)CC1C(O)=O

InChI

InChIKey=NQEIIANRMIDQRR-UHFFFAOYSA-M
InChI=1S/C21H36O4.K/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C21H35O4
Molecular Weight 351.5002
Charge -1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula K
Molecular Weight 39.0983
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 Mon Mar 31 21:32:31 GMT 2025
Edited
by admin
on Mon Mar 31 21:32:31 GMT 2025
Record UNII
J2XE43DFFA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CYCLOHEXENE-1-OCTANOIC ACID, 5-CARBOXY-4-HEXYL-, MONOPOTASSIUM SALT
Preferred Name English
POTASSIUM 5-CARBOXY-4-HEXYLCYCLOHEX-2-ENE-1-OCTANOATE
Systematic Name English
2-CYCLOHEXENE-1-OCTANOIC ACID, 5-CARBOXY-4-HEXYL-, POTASSIUM SALT (1:1)
Common Name English
POTASSIUM 8-(5-CARBOXY-4-HEXYL-CYCLOHEX-2-EN-1-YL)OCTANOATE
Systematic Name English
Code System Code Type Description
CAS
68227-50-9
Created by admin on Mon Mar 31 21:32:31 GMT 2025 , Edited by admin on Mon Mar 31 21:32:31 GMT 2025
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FDA UNII
J2XE43DFFA
Created by admin on Mon Mar 31 21:32:31 GMT 2025 , Edited by admin on Mon Mar 31 21:32:31 GMT 2025
PRIMARY
PUBCHEM
23668641
Created by admin on Mon Mar 31 21:32:31 GMT 2025 , Edited by admin on Mon Mar 31 21:32:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID80880408
Created by admin on Mon Mar 31 21:32:31 GMT 2025 , Edited by admin on Mon Mar 31 21:32:31 GMT 2025
PRIMARY
ECHA (EC/EINECS)
269-362-7
Created by admin on Mon Mar 31 21:32:31 GMT 2025 , Edited by admin on Mon Mar 31 21:32:31 GMT 2025
PRIMARY