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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20O3
Molecular Weight 236.3068
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3'-HYDROXY-3'-METHYLBUTYL)-3,5,6-TRIMETHYL-1,4-BENZOQUINONE

SMILES

CC1=C(C)C(=O)C(CCC(C)(C)O)=C(C)C1=O

InChI

InChIKey=FLWVTHFLYAEBFE-UHFFFAOYSA-N
InChI=1S/C14H20O3/c1-8-9(2)13(16)11(10(3)12(8)15)6-7-14(4,5)17/h17H,6-7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C14H20O3
Molecular Weight 236.3068
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 16:21:55 GMT 2025
Edited
by admin
on Tue Apr 01 16:21:55 GMT 2025
Record UNII
J5LWZ6B960
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-(3-HYDROXY-3-METHYLBUTYL)3,5,6-TRIMETHYL-1,4-BENZOQUINONE)
Preferred Name English
2-(3'-HYDROXY-3'-METHYLBUTYL)-3,5,6-TRIMETHYL-1,4-BENZOQUINONE
Common Name English
P-BENZOQUINONE, (3-HYDROXY-3-METHYLBUTYL)TRIMETHYL-
Systematic Name English
2-(3-HYDROXY-3-METHYLBUTYL)-3,5,6-TRIMETHYL-1,4-BENZOQUINONE
Systematic Name English
2,5-CYCLOHEXADIENE-1,4-DIONE, 2-(3-HYDROXY-3-METHYLBUTYL)-3,5,6-TRIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
13831406
Created by admin on Tue Apr 01 16:21:55 GMT 2025 , Edited by admin on Tue Apr 01 16:21:55 GMT 2025
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CAS
30876-55-2
Created by admin on Tue Apr 01 16:21:55 GMT 2025 , Edited by admin on Tue Apr 01 16:21:55 GMT 2025
PRIMARY
FDA UNII
J5LWZ6B960
Created by admin on Tue Apr 01 16:21:55 GMT 2025 , Edited by admin on Tue Apr 01 16:21:55 GMT 2025
PRIMARY