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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H14N2O6
Molecular Weight 294.2601
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cyclohexyl 3,5-dinitrobenzoate

SMILES

[O-][N+](=O)C1=CC(=CC(=C1)C(=O)OC2CCCCC2)[N+]([O-])=O

InChI

InChIKey=WQRHLXDZHGLFIX-UHFFFAOYSA-N
InChI=1S/C13H14N2O6/c16-13(21-12-4-2-1-3-5-12)9-6-10(14(17)18)8-11(7-9)15(19)20/h6-8,12H,1-5H2

HIDE SMILES / InChI

Molecular Formula C13H14N2O6
Molecular Weight 294.2601
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 11:40:38 GMT 2023
Edited
by admin
on Sat Dec 16 11:40:38 GMT 2023
Record UNII
G8FK7TTV8J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cyclohexyl 3,5-dinitrobenzoate
Systematic Name English
Benzoic acid, 3,5-dinitro-, cyclohexyl ester
Systematic Name English
Cyclohexanol, 3,5-dinitrobenzoate
Systematic Name English
Code System Code Type Description
CAS
1158-19-6
Created by admin on Sat Dec 16 11:40:38 GMT 2023 , Edited by admin on Sat Dec 16 11:40:38 GMT 2023
PRIMARY
PUBCHEM
3089544
Created by admin on Sat Dec 16 11:40:38 GMT 2023 , Edited by admin on Sat Dec 16 11:40:38 GMT 2023
PRIMARY
FDA UNII
G8FK7TTV8J
Created by admin on Sat Dec 16 11:40:38 GMT 2023 , Edited by admin on Sat Dec 16 11:40:38 GMT 2023
PRIMARY