EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H14FeN2O2 |
| Net Charge | +2 |
| Average Mass | 370.189 |
| Monoisotopic Mass | 370.03937 |
| SMILES | [H]C1=[N+]2c3c([H])c([H])c([H])c([H])c3[N+]3=C([H])c4c([H])c([H])c([H])c([H])c4[O][Fe@SP2]23[O]c2c([H])c([H])c([H])c([H])c21 |
| InChI | InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+4/p-2/b21-13+,22-14+; |
| InChIKey | BSPYTUHYTMXMCB-JKBLJYNNSA-L |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON (CHEBI:47758) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON | PDBeChem |
| [2,2'-{benzene-1,2-diylbis[(nitrilo-kappaN)methylylidene]}diphenolato(2-)-kappaO]iron(2+) | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| YOM | PDBeChem |