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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2O10
Molecular Weight 344.2311
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-DINITROOXY-2-PROPYL 2-ACETOXYBENZOATE

SMILES

CC(=O)OC1=CC=CC=C1C(=O)OC(CO[N+]([O-])=O)CO[N+]([O-])=O

InChI

InChIKey=KDHWEMULLOVCEH-UHFFFAOYSA-N
InChI=1S/C12H12N2O10/c1-8(15)23-11-5-3-2-4-10(11)12(16)24-9(6-21-13(17)18)7-22-14(19)20/h2-5,9H,6-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H12N2O10
Molecular Weight 344.2311
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 16:34:04 GMT 2023
Edited
by admin
on Sat Dec 16 16:34:04 GMT 2023
Record UNII
T44AA70FKR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-DINITROOXY-2-PROPYL 2-ACETOXYBENZOATE
Systematic Name English
1,3-DINITROOXYPROPAN-2-YL 2-ACETYLOXYBENZOATE
Systematic Name English
BENZOIC ACID, 2-(ACETYLOXY)-, 2-(NITROOXY)-1-((NITROOXY)METHYL)ETHYL ESTER
Systematic Name English
1,3-BIS(NITROOXY)PROPAN-2-YL 2-ACETOXYBENZOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
44219619
Created by admin on Sat Dec 16 16:34:04 GMT 2023 , Edited by admin on Sat Dec 16 16:34:04 GMT 2023
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FDA UNII
T44AA70FKR
Created by admin on Sat Dec 16 16:34:04 GMT 2023 , Edited by admin on Sat Dec 16 16:34:04 GMT 2023
PRIMARY
CAS
1230627-78-7
Created by admin on Sat Dec 16 16:34:04 GMT 2023 , Edited by admin on Sat Dec 16 16:34:04 GMT 2023
PRIMARY