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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N5O6S2
Molecular Weight 383.36
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-amino-3-[nitro[2-(4-nitrophenyl)diazenyl]methylene]-3H-1,2-dithiole-4-carboxylate

SMILES

COC(=O)C1=C(N)SS\C1=C(/N=N/C2=CC=C(C=C2)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=GSHWXXRIRNDXEU-KYUUQUQASA-N
InChI=1S/C12H9N5O6S2/c1-23-12(18)8-9(24-25-10(8)13)11(17(21)22)15-14-6-2-4-7(5-3-6)16(19)20/h2-5H,13H2,1H3/b11-9+,15-14+

HIDE SMILES / InChI

Molecular Formula C12H9N5O6S2
Molecular Weight 383.36
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:29:30 GMT 2023
Edited
by admin
on Sat Dec 16 19:29:30 GMT 2023
Record UNII
DWG6A4D5KB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 5-amino-3-[nitro[2-(4-nitrophenyl)diazenyl]methylene]-3H-1,2-dithiole-4-carboxylate
Systematic Name English
NSC-358288
Code English
3H-1,2-DITHIOLE-4-CARBOXYLIC ACID, 5-AMINO-3-(NITRO((4-NITROPHENYL)AZO)METHYLENE)-, METHYL ESTER
Common Name English
3H-1,2-DITHIOLE-4-CARBOXYLIC ACID, 5-AMINO-3-(NITRO(2-(4-NITROPHENYL)DIAZENYL)METHYLENE)-, METHYL ESTER
Common Name English
Code System Code Type Description
CAS
78649-98-6
Created by admin on Sat Dec 16 19:29:30 GMT 2023 , Edited by admin on Sat Dec 16 19:29:30 GMT 2023
PRIMARY
NSC
358288
Created by admin on Sat Dec 16 19:29:30 GMT 2023 , Edited by admin on Sat Dec 16 19:29:30 GMT 2023
PRIMARY
FDA UNII
DWG6A4D5KB
Created by admin on Sat Dec 16 19:29:30 GMT 2023 , Edited by admin on Sat Dec 16 19:29:30 GMT 2023
PRIMARY