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Details

Stereochemistry ACHIRAL
Molecular Formula C27H30O
Molecular Weight 370.5265
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-DI-TERT-BUTYL-4-(DIPHENYLMETHYLENE)-2,5-CYCLOHEXADIEN-1-ONE

SMILES

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

InChI

InChIKey=YYCJKXQRAPJWCE-UHFFFAOYSA-N
InChI=1S/C27H30O/c1-26(2,3)22-17-21(18-23(25(22)28)27(4,5)6)24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,1-6H3

HIDE SMILES / InChI

Molecular Formula C27H30O
Molecular Weight 370.5265
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 12:42:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:42:16 GMT 2023
Record UNII
6NYI85X1G0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-DI-TERT-BUTYL-4-(DIPHENYLMETHYLENE)-2,5-CYCLOHEXADIEN-1-ONE
Systematic Name English
2,5-CYCLOHEXADIEN-1-ONE, 2,6-DI-TERT-BUTYL-4-(DIPHENYLMETHYLENE)-
Systematic Name English
2,6-BIS(1,1-DIMETHYLETHYL)-4-(DIPHENYLMETHYLENE)-2,5-CYCLOHEXADIEN-1-ONE
Systematic Name English
2,5-CYCLOHEXADIEN-1-ONE, 2,6-BIS(1,1-DIMETHYLETHYL)-4-(DIPHENYLMETHYLENE)-
Systematic Name English
NSC-81685
Code English
Code System Code Type Description
CAS
13131-76-5
Created by admin on Sat Dec 16 12:42:16 GMT 2023 , Edited by admin on Sat Dec 16 12:42:16 GMT 2023
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PUBCHEM
255807
Created by admin on Sat Dec 16 12:42:16 GMT 2023 , Edited by admin on Sat Dec 16 12:42:16 GMT 2023
PRIMARY
NSC
81685
Created by admin on Sat Dec 16 12:42:16 GMT 2023 , Edited by admin on Sat Dec 16 12:42:16 GMT 2023
PRIMARY
FDA UNII
6NYI85X1G0
Created by admin on Sat Dec 16 12:42:16 GMT 2023 , Edited by admin on Sat Dec 16 12:42:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID80156998
Created by admin on Sat Dec 16 12:42:16 GMT 2023 , Edited by admin on Sat Dec 16 12:42:16 GMT 2023
PRIMARY