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Details

Stereochemistry ACHIRAL
Molecular Formula C26H28O4
Molecular Weight 404.4981
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-BIS(4-BUTYLPHENYL)-3,6-DIHYDROXYBENZO-1,4-QUINONE

SMILES

CCCCC1=CC=C(C=C1)C2=C(O)C(=O)C(=C(O)C2=O)C3=CC=C(CCCC)C=C3

InChI

InChIKey=CMAPBQSQMJIHSS-UHFFFAOYSA-N
InChI=1S/C26H28O4/c1-3-5-7-17-9-13-19(14-10-17)21-23(27)25(29)22(26(30)24(21)28)20-15-11-18(12-16-20)8-6-4-2/h9-16,27,30H,3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C26H28O4
Molecular Weight 404.4981
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 Dec 16 12:56:21 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:21 GMT 2023
Record UNII
TS7Z9UXB57
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-BIS(4-BUTYLPHENYL)-3,6-DIHYDROXYBENZO-1,4-QUINONE
Systematic Name English
P-BENZOQUINONE, 2,5-BIS(P-TERT-BUTYLPHENYL)-3,6-DIHYDROXY-
Systematic Name English
NSC-122404
Code English
2,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-BIS(4-BUTYLPHENYL)-3,6-DIHYDROXY-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80181700
Created by admin on Sat Dec 16 12:56:21 GMT 2023 , Edited by admin on Sat Dec 16 12:56:21 GMT 2023
PRIMARY
CAS
27246-39-5
Created by admin on Sat Dec 16 12:56:21 GMT 2023 , Edited by admin on Sat Dec 16 12:56:21 GMT 2023
PRIMARY
NSC
122404
Created by admin on Sat Dec 16 12:56:21 GMT 2023 , Edited by admin on Sat Dec 16 12:56:21 GMT 2023
PRIMARY
PUBCHEM
275519
Created by admin on Sat Dec 16 12:56:21 GMT 2023 , Edited by admin on Sat Dec 16 12:56:21 GMT 2023
PRIMARY
FDA UNII
TS7Z9UXB57
Created by admin on Sat Dec 16 12:56:21 GMT 2023 , Edited by admin on Sat Dec 16 12:56:21 GMT 2023
PRIMARY