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Details

Stereochemistry ACHIRAL
Molecular Formula C16H10N4O8
Molecular Weight 386.2726
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of KHELLINONEQUINONE 4-(2,4-DINITROPHENYLHYDRAZONE)

SMILES

CC(=O)C1=C(O)C(=O)C2=C(C=CO2)\C1=N/NC3=CC=C(C=C3[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=BUDXSFIRVNWSDI-QGOAFFKASA-N
InChI=1S/C16H10N4O8/c1-7(21)12-13(9-4-5-28-16(9)15(23)14(12)22)18-17-10-3-2-8(19(24)25)6-11(10)20(26)27/h2-6,17,22H,1H3/b18-13+

HIDE SMILES / InChI

Molecular Formula C16H10N4O8
Molecular Weight 386.2726
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 14:08:55 GMT 2023
Edited
by admin
on Sat Dec 16 14:08:55 GMT 2023
Record UNII
OF1V5HJB8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KHELLINONEQUINONE 4-(2,4-DINITROPHENYLHYDRAZONE)
Common Name English
5-ACETYL-6-HYDROXY-4,7-BENZOFURANDIONE -4-(2,4-DINITROPHENYLHYDRAZONE)
Systematic Name English
4,7-BENZOFURANDIONE, 5-ACETYL-6-HYDROXY-, 4-(2-(2,4-DINITROPHENYL)HYDRAZONE)
Systematic Name English
Code System Code Type Description
CAS
116754-50-8
Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023
PRIMARY
FDA UNII
OF1V5HJB8N
Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023
PRIMARY