EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47757 - [[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON

Default Structure
ChEBI IDCHEBI:47757
ChEBI Name[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
Stars
DownloadsMolfile
FormulaC21H14FeN2O4
Net Charge+2
Average Mass414.198
Monoisotopic Mass414.02920
SMILES[H]OC(=O)c1c([H])c([H])c2c(c1[H])[N+]1=C([H])c3c([H])c([H])c([H])c([H])c3[O][Fe@SP1]13[O]c1c([H])c([H])c([H])c([H])c1C([H])=[N+]23
InChIInChI=1S/C21H16N2O4.Fe/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25;/h1-13,24-25H,(H,26,27);/q;+4/p-2/b22-12+,23-13+;
InChIKeyAYPNHSRYHHHKFU-HPUGBGFMSA-L
ChEBI Ontology
Outgoing Relation(s)
[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON (CHEBI:47757) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRONPDBeChem
[3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)benzoato(2-)]iron(2+)PDBeChem
Manual XrefsDatabases
YOLPDBeChem