BENZOIC ACID, 3-((4-CARBOXY-4-METHYLPENTYL)OXY)-4-METHYL-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H20O5
Molecular Weight	280.3163
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-

Structure Search

SMILES

CC1=CC=C(C=C1OCCCC(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	280.3163
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 `Wed Apr 02 09:56:58 GMT 2025` Edited by `admin` on `Wed Apr 02 09:56:58 GMT 2025`
Record UNII	LDQ3U23BAB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GEMFIBROZIL METABOLITE M3

Preferred Name

English

BENZOIC ACID, 3-((4-CARBOXY-4-METHYLPENTYL)OXY)-4-METHYL-

Systematic 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 Wed Apr 02 09:56:58 GMT 2025 , Edited by admin on Wed Apr 02 09:56:58 GMT 2025

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CAS

63257-54-5

Created by admin on Wed Apr 02 09:56:58 GMT 2025 , Edited by admin on Wed Apr 02 09:56:58 GMT 2025

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FDA UNII

LDQ3U23BAB

Created by admin on Wed Apr 02 09:56:58 GMT 2025 , Edited by admin on Wed Apr 02 09:56:58 GMT 2025

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EPA CompTox

DTXSID00979303

Created by admin on Wed Apr 02 09:56:58 GMT 2025 , Edited by admin on Wed Apr 02 09:56:58 GMT 2025

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