| SpectraBase Spectrum ID |
pfn0Za4C1J |
| Name |
Benzoic acid, 4-(chlorothio)-3-nitro-, methyl ester |
| Alternate Name(s) |
Methyl 3-nitro-4-chlorosulfenyl-benzoate
Methyl 4-(chlorosulfanyl)-3-nitrobenzoate |
| CAS Registry Number |
59515-36-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H6ClNO4S |
| InChI |
InChI=1S/C8H6ClNO4S/c1-14-8(11)5-2-3-7(15-9)6(4-5)10(12)13/h2-4H,1H3 |
| InChIKey |
YMXLMALSPPJPLK-UHFFFAOYSA-N |
| Molecular Weight |
247.652 g/mol |
| SMILES |
c1(N(=O)=O)cc(C(=O)OC)ccc1SCl |
| SPLASH |
splash10-0002-3970000000-0493c34ec6a765f64495 |
| Source of Spectrum |
H-59-865-0 |
| Wiley ID |
1249700 |
