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Details

Stereochemistry ACHIRAL
Molecular Formula C28H40O2
Molecular Weight 408.616
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3',5,5'-TETRA-TERT-BUTYL-4,4'-DIPHENOQUINONE

SMILES

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

InChI

InChIKey=GQIGHOCYKUBBOE-UHFFFAOYSA-N
InChI=1S/C28H40O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16H,1-12H3

HIDE SMILES / InChI

Molecular Formula C28H40O2
Molecular Weight 408.616
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 Fri Dec 15 18:47:59 GMT 2023
Edited
by admin
on Fri Dec 15 18:47:59 GMT 2023
Record UNII
4M92Z38Q9A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3',5,5'-TETRA-TERT-BUTYL-4,4'-DIPHENOQUINONE
Common Name English
TETRA-TERT-BUTYLDIPHENOQUINONE
Common Name English
PROBUCOL RELATED COMPOUND A [USP-RS]
Common Name English
DIPHENOQUINONE, 3,3',5,5'-TETRA-TERT-BUTYL-
Systematic Name English
NSC-652596
Code English
NSC-14478
Code English
2,5-CYCLOHEXADIEN-1-ONE, 4-(3,5-BIS(1,1-DIMETHYLETHYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)-2,6-BIS(1,1-DIMETHYLETHYL)-
Systematic Name English
(BI-2,5-CYCLOHEXADIEN-1-YLIDENE)-4,4'-DIONE, 3,3',5,5'-TETRA-TERT-BUTYL-
Systematic Name English
3,3',5,5'-TETRA-TERT-BUTYLDIPHENOQUINONE
Common Name English
3,5,3',5'-TETRA-TERT-BUTYLDIPHENOQUINONE
Common Name English
Code System Code Type Description
FDA UNII
4M92Z38Q9A
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID10179291
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
PUBCHEM
225283
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
RS_ITEM_NUM
1563320
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
CAS
2455-14-3
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-527-4
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
NSC
14478
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
NSC
652596
Created by admin on Fri Dec 15 18:47:59 GMT 2023 , Edited by admin on Fri Dec 15 18:47:59 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP