| SpectraBase Spectrum ID |
2FVrcCAFDkU |
| Name |
Benzoic acid, 2-[[1-(3-chloro-4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.008134871 u |
| Formula |
C17H11ClFNO4S |
| InChI |
InChI=1S/C17H11ClFNO4S/c18-11-7-9(5-6-12(11)19)20-15(21)8-14(16(20)22)25-13-4-2-1-3-10(13)17(23)24/h1-7,14H,8H2,(H,23,24) |
| InChIKey |
ZZPIVAQZABJWJL-UHFFFAOYSA-N |
| Molecular Weight |
379.789 g/mol |
| SMILES |
OC(C1=C(SC2C(N(C(C2)=O)C2=CC(Cl)=C(C=C2)F)=O)C=CC=C1)=O |
![Benzoic acid, 2-[[1-(3-chloro-4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-](/api/spectrum/2FVrcCAFDkU/structure.png?h=300&w=458 "Benzoic acid, 2-[[1-(3-chloro-4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-")
