| SpectraBase Spectrum ID |
8Q5W1TlV0Sf |
| Name |
Benzoic acid, 2-hydroxy-3,5-dinitro-, 2-thiocyanatoethyl ester |
| Alternate Name(s) |
(2-Cyanothioethyl) (1,3-dinitro-4-hydroxy-5-phenyl)-carboxylate
2-(cyanosulfanyl)ethyl 2-hydroxy-3,5-dinitrobenzoate |
| CAS Registry Number |
102941-66-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H7N3O7S |
| InChI |
InChI=1S/C10H7N3O7S/c11-5-21-2-1-20-10(15)7-3-6(12(16)17)4-8(9(7)14)13(18)19/h3-4,14H,1-2H2 |
| InChIKey |
ZVATVJPIKHPJQT-UHFFFAOYSA-N |
| Molecular Weight |
313.240 g/mol |
| SMILES |
Oc1c(C(=O)OCCSC#N)cc(N(=O)=O)cc1N(=O)=O |
| SPLASH |
splash10-052r-9400000000-c847d0ea62686a66cccf |
| Source of Spectrum |
J-51-3021-7 |
| Wiley ID |
1314005 |
