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Details

Stereochemistry ACHIRAL
Molecular Formula C15H20O5
Molecular Weight 280.3169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOIC ACID, 3-((4-CARBOXY-4-METHYLPENTYL)OXY)-4-METHYL-

SMILES

Cc1ccc(cc1OCCCC(C)(C)C(=O)O)C(=O)O

InChI

InChIKey=MOMCEAQWBWEIJV-UHFFFAOYSA-N
InChI=1S/C15H20O5/c1-10-5-6-11(13(16)17)9-12(10)20-8-4-7-15(2,3)14(18)19/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)(H,18,19)

HIDE SMILES / InChI

Molecular Formula C15H20O5
Molecular Weight 280.3169
Charge 0
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 Sat Jun 26 08:00:53 UTC 2021
Edited
by admin
on Sat Jun 26 08:00:53 UTC 2021
Record UNII
LDQ3U23BAB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, 3-((4-CARBOXY-4-METHYLPENTYL)OXY)-4-METHYL-
Systematic Name English
GEMFIBROZIL METABOLITE M3
Common Name English
3-((4-CARBOXY-4-METHYLPENTYL)OXY)-4-METHYLBENZOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
88118
Created by admin on Sat Jun 26 08:00:53 UTC 2021 , Edited by admin on Sat Jun 26 08:00:53 UTC 2021
PRIMARY
CAS
63257-54-5
Created by admin on Sat Jun 26 08:00:53 UTC 2021 , Edited by admin on Sat Jun 26 08:00:53 UTC 2021
PRIMARY
FDA UNII
LDQ3U23BAB
Created by admin on Sat Jun 26 08:00:53 UTC 2021 , Edited by admin on Sat Jun 26 08:00:53 UTC 2021
PRIMARY
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