2-(4-TERT-BUTYLBENZOYL)BENZOIC ACID

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H18O3
Molecular Weight	282.3337
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(4-TERT-BUTYLBENZOYL)BENZOIC ACID

Structure Search

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(O)=O

InChI

InChIKey=KFTGETZSJFJXEO-UHFFFAOYSA-N

InChI=1S/C18H18O3/c1-18(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)17(20)21/h4-11H,1-3H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula	C18H18O3
Molecular Weight	282.3337
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 `Tue Apr 01 19:07:25 GMT 2025` Edited by `admin` on `Tue Apr 01 19:07:25 GMT 2025`
Record UNII	CR4TB3CHW3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOIC ACID, 2-(4-(1,1-DIMETHYLETHYL)BENZOYL)-

Preferred Name

English

2-(4-TERT-BUTYLBENZOYL)BENZOIC ACID

Systematic Name

English

2-(4-(1,1-DIMETHYLETHYL)BENZOYL)BENZOIC ACID

Systematic Name

English

2-(4-TERT-BUTYL-BENZOYL)-BENZOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

67357

Created by admin on Tue Apr 01 19:07:25 GMT 2025 , Edited by admin on Tue Apr 01 19:07:25 GMT 2025

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FDA UNII

CR4TB3CHW3

Created by admin on Tue Apr 01 19:07:25 GMT 2025 , Edited by admin on Tue Apr 01 19:07:25 GMT 2025

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CAS

146-81-6

Created by admin on Tue Apr 01 19:07:25 GMT 2025 , Edited by admin on Tue Apr 01 19:07:25 GMT 2025

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ECHA (EC/EINECS)

205-680-4

Created by admin on Tue Apr 01 19:07:25 GMT 2025 , Edited by admin on Tue Apr 01 19:07:25 GMT 2025

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EPA CompTox

DTXSID1059731

Created by admin on Tue Apr 01 19:07:25 GMT 2025 , Edited by admin on Tue Apr 01 19:07:25 GMT 2025

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