U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C21H18O6
Molecular Weight 366.364
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(BENZOYLOXY)-3-((BENZOYLOXY)METHYL)CYCLOHEXANE-1,2-DIONE

SMILES

O=C(OCC1(CCCC(=O)C1=O)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=LYXOSACTEULWBH-UHFFFAOYSA-N
InChI=1S/C21H18O6/c22-17-12-7-13-21(18(17)23,27-20(25)16-10-5-2-6-11-16)14-26-19(24)15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2

HIDE SMILES / InChI

Molecular Formula C21H18O6
Molecular Weight 366.364
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:39:57 GMT 2023
Edited
by admin
on Sat Dec 16 10:39:57 GMT 2023
Record UNII
1932XT6WAH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(BENZOYLOXY)-3-((BENZOYLOXY)METHYL)CYCLOHEXANE-1,2-DIONE
Systematic Name English
2-CYCLOHEXEN-1-ONE, 6-(BENZOYLOXY)-6-((BENZOYLOXY)METHYL)-2-HYDR
Systematic Name English
Code System Code Type Description
FDA UNII
1932XT6WAH
Created by admin on Sat Dec 16 10:39:57 GMT 2023 , Edited by admin on Sat Dec 16 10:39:57 GMT 2023
PRIMARY
PUBCHEM
119057993
Created by admin on Sat Dec 16 10:39:57 GMT 2023 , Edited by admin on Sat Dec 16 10:39:57 GMT 2023
PRIMARY
CAS
90369-58-7
Created by admin on Sat Dec 16 10:39:57 GMT 2023 , Edited by admin on Sat Dec 16 10:39:57 GMT 2023
PRIMARY