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Details

Stereochemistry ACHIRAL
Molecular Formula C54H72O3
Molecular Weight 769.1477
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-TRIS(3,5-DI-TERT-BUTYLCYCLOHEXA-2,5-DIEN-4-ON-1-YLIDINEMETHYL)MESITYLENE

SMILES

CC1=C(C=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)=C(C=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C(C)=C1C=C4C=C(C(=O)C(=C4)C(C)(C)C)C(C)(C)C

InChI

InChIKey=VDDPNGNCUBSZKJ-UHFFFAOYSA-N
InChI=1S/C54H72O3/c1-31-37(22-34-25-40(49(4,5)6)46(55)41(26-34)50(7,8)9)32(2)39(24-36-29-44(53(16,17)18)48(57)45(30-36)54(19,20)21)33(3)38(31)23-35-27-42(51(10,11)12)47(56)43(28-35)52(13,14)15/h22-30H,1-21H3

HIDE SMILES / InChI

Molecular Formula C54H72O3
Molecular Weight 769.1477
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 11:59:13 GMT 2023
Edited
by admin
on Sat Dec 16 11:59:13 GMT 2023
Record UNII
0JDS4DRO0K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,6-TRIS(3,5-DI-TERT-BUTYLCYCLOHEXA-2,5-DIEN-4-ON-1-YLIDINEMETHYL)MESITYLENE
Systematic Name English
2,5-CYCLOHEXADIEN-1-ONE, 4,4',4''-((2,4,6-TRIMETHYL-1,3,5-BENZENETRIYL)TRIMETHYLIDYNE)TRIS(2,6-BIS(1,1-DIMETHYLETHYL)-
Systematic Name English
4,4',4''-((2,4,6-TRIMETHYL-S-PHENENYLENE)TRIMETHYLIDYNE)TRIS(2,6-DI-TERT-BUTYL-2,5-CYCLOHEXADIENONE)
Systematic Name English
Code System Code Type Description
PUBCHEM
53440241
Created by admin on Sat Dec 16 11:59:13 GMT 2023 , Edited by admin on Sat Dec 16 11:59:13 GMT 2023
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FDA UNII
0JDS4DRO0K
Created by admin on Sat Dec 16 11:59:13 GMT 2023 , Edited by admin on Sat Dec 16 11:59:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID10702442
Created by admin on Sat Dec 16 11:59:13 GMT 2023 , Edited by admin on Sat Dec 16 11:59:13 GMT 2023
PRIMARY
CAS
20357-51-1
Created by admin on Sat Dec 16 11:59:13 GMT 2023 , Edited by admin on Sat Dec 16 11:59:13 GMT 2023
PRIMARY