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Details

Stereochemistry ACHIRAL
Molecular Formula C18H26O3
Molecular Weight 290.3979
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(2,5-DIMETHYL-4-((1E)-PROP-1-EN-1-YL)PHENOXY)-2,2-DIMETHYLPENTANOIC ACID

SMILES

C/C(/[H])=C(\[H])/c1cc(C)c(cc1C)OCCCC(C)(C)C(=O)O

InChI

InChIKey=ZWBXHPOXWIJOJR-SOFGYWHQSA-N
InChI=1S/C18H26O3/c1-6-8-15-11-14(3)16(12-13(15)2)21-10-7-9-18(4,5)17(19)20/h6,8,11-12H,7,9-10H2,1-5H3,(H,19,20)/b8-6+

HIDE SMILES / InChI

Molecular Formula C18H26O3
Molecular Weight 290.3979
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:48:59 UTC 2021
Edited
by admin
on Fri Jun 25 20:48:59 UTC 2021
Record UNII
JS89L2TD5Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2,5-DIMETHYL-4-((1E)-PROP-1-EN-1-YL)PHENOXY)-2,2-DIMETHYLPENTANOIC ACID
Systematic Name English
PENTANOIC ACID, 5-(2,5-DIMETHYL-4-(1E)-1-PROPEN-1-YLPHENOXY)-2,2-DIMETHYL-
Systematic Name English
(E)-5-(2,5-DIMETHYL-4-(PROP-1-EN-1-YL)PHENOXY)-2,2-DIMETHYLPENTANOIC ACID
Common Name English
E-ISOMER COMPONENT OF GEMFIBROZIL RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
CAS
1315604-10-4
Created by admin on Fri Jun 25 20:48:59 UTC 2021 , Edited by admin on Fri Jun 25 20:48:59 UTC 2021
PRIMARY
PUBCHEM
10214830
Created by admin on Fri Jun 25 20:48:59 UTC 2021 , Edited by admin on Fri Jun 25 20:48:59 UTC 2021
PRIMARY
FDA UNII
JS89L2TD5Q
Created by admin on Fri Jun 25 20:48:59 UTC 2021 , Edited by admin on Fri Jun 25 20:48:59 UTC 2021
PRIMARY
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