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Details

Stereochemistry ACHIRAL
Molecular Formula C20H18N4O12
Molecular Weight 506.3765
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,6-HEXANEDIOL 1,6-BIS(3,5-DINITROBENZOATE)

SMILES

[O-][N+](=O)C1=CC(=CC(=C1)C(=O)OCCCCCCOC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=FYLKIWKJLNZPNS-UHFFFAOYSA-N
InChI=1S/C20H18N4O12/c25-19(13-7-15(21(27)28)11-16(8-13)22(29)30)35-5-3-1-2-4-6-36-20(26)14-9-17(23(31)32)12-18(10-14)24(33)34/h7-12H,1-6H2

HIDE SMILES / InChI

Molecular Formula C20H18N4O12
Molecular Weight 506.3765
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 Mon Mar 31 22:20:22 GMT 2025
Edited
by admin
on Mon Mar 31 22:20:22 GMT 2025
Record UNII
422B4054PL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,6-HEXANEDIOL 1,6-BIS(3,5-DINITROBENZOATE)
Common Name English
HEXAMETHYLENE GLYCOL S(3,5-DINITROBENZOATE)
MI  
Preferred Name English
HEXAMETHYLENE GLYCOL S(3,5-DINITROBENZOATE) [MI]
Common Name English
1,6-HEXANEDIOL, 1,6-BIS(3,5-DINITROBENZOATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
72710786
Created by admin on Mon Mar 31 22:20:22 GMT 2025 , Edited by admin on Mon Mar 31 22:20:22 GMT 2025
PRIMARY
FDA UNII
422B4054PL
Created by admin on Mon Mar 31 22:20:22 GMT 2025 , Edited by admin on Mon Mar 31 22:20:22 GMT 2025
PRIMARY
CAS
99871-46-2
Created by admin on Mon Mar 31 22:20:22 GMT 2025 , Edited by admin on Mon Mar 31 22:20:22 GMT 2025
PRIMARY