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Details

Stereochemistry RACEMIC
Molecular Formula C12H14N2O8S2
Molecular Weight 378.378
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GT-094

SMILES

CCOC(=O)C1=CC=CC=C1SSCC(CO[N+]([O-])=O)O[N+]([O-])=O

InChI

InChIKey=OLZIDPTXVFOTPO-UHFFFAOYSA-N
InChI=1S/C12H14N2O8S2/c1-2-20-12(15)10-5-3-4-6-11(10)24-23-8-9(22-14(18)19)7-21-13(16)17/h3-6,9H,2,7-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H14N2O8S2
Molecular Weight 378.378
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:23:20 GMT 2023
Edited
by admin
on Sat Dec 16 09:23:20 GMT 2023
Record UNII
65M96991RM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GT-094
Common Name English
BENZOIC ACID, 2-((2,3-BIS(NITROOXY)PROPYL)DITHIO)-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
9907769
Created by admin on Sat Dec 16 09:23:21 GMT 2023 , Edited by admin on Sat Dec 16 09:23:21 GMT 2023
PRIMARY
CAS
349472-62-4
Created by admin on Sat Dec 16 09:23:21 GMT 2023 , Edited by admin on Sat Dec 16 09:23:21 GMT 2023
PRIMARY
FDA UNII
65M96991RM
Created by admin on Sat Dec 16 09:23:21 GMT 2023 , Edited by admin on Sat Dec 16 09:23:21 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY