| SpectraBase Spectrum ID |
CmI9YCGa4OU |
| Name |
Benzoic acid, 2-chloro-4,5-difluoro-, 4-[(E)-[2-(aminocarbonothioyl)hydrazono]methyl]-2-methoxyphenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.025596455 u |
| Formula |
C16H12ClF2N3O3S |
| InChI |
InChI=1S/C16H12ClF2N3O3S/c1-24-14-4-8(7-21-22-16(20)26)2-3-13(14)25-15(23)9-5-11(18)12(19)6-10(9)17/h2-7H,1H3,(H3,20,22,26)/b21-7+ |
| InChIKey |
GBBFUIARSXOBGN-QPSGOUHRSA-N |
| Molecular Weight |
399.800 g/mol |
| SMILES |
N(C(=S)N)\N=C\C=1C=CC(OC(C2=C(C=C(C(=C2)F)F)Cl)=O)=C(C1)OC |
![benzoic acid, 2-chloro-4,5-difluoro-, 4-[(E)-[2-(aminocarbonothioyl)hydrazono]methyl]-2-methoxyphenyl ester](/api/spectrum/CmI9YCGa4OU/structure.png?h=300&w=458 "benzoic acid, 2-chloro-4,5-difluoro-, 4-[(E)-[2-(aminocarbonothioyl)hydrazono]methyl]-2-methoxyphenyl ester")
