EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H14N4O12S4 |
| Net Charge | 0 |
| Average Mass | 630.616 |
| Monoisotopic Mass | 629.94911 |
| SMILES | O=S(=O)(O)c1cc(S(=O)(=O)O)c2nc(-c3ccc(-c4nc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5n4)cc3)nc2c1 |
| InChI | InChI=1S/C20H14N4O12S4/c25-37(26,27)11-5-13-17(15(7-11)39(31,32)33)23-19(21-13)9-1-2-10(4-3-9)20-22-14-6-12(38(28,29)30)8-16(18(14)24-20)40(34,35)36/h1-8H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36) |
| InChIKey | LYLOSUMZZKYEDT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bisdisulizole (CHEBI:754701) is a benzimidazoles (CHEBI:22715) |