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CHEBI:63945 - ferrozine(2−)

ChEBI IDCHEBI:63945
ChEBI Nameferrozine(2−)
Stars
ASCII Nameferrozine(2-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]dibenzenesulfonic acid.
Last Modified20 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC20H12N4O6S2
Net Charge-2
Average Mass468.472
Monoisotopic Mass468.02092
SMILESO=S(=O)([O-])c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccc(S(=O)(=O)[O-])cc2)cc1
InChIInChI=1S/C20H14N4O6S2/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17/h1-12H,(H,25,26,27)(H,28,29,30)/p-2
InChIKeyJFVUMQYWYNDZDK-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
ferrozine(2−) (CHEBI:63945) is a organosulfonate oxoanion (CHEBI:33554)
ferrozine(2−) (CHEBI:63945) is conjugate base of ferrozine free acid (CHEBI:63946)
Incoming Relation(s)
ferrozine monosodium salt (CHEBI:63942) has part ferrozine(2−) (CHEBI:63945)
ferrozine free acid (CHEBI:63946) is conjugate acid of ferrozine(2−) (CHEBI:63945)
IUPAC Name 
4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]dibenzenesulfonate
Synonym  Source
ferrozine cationChEBI
Registry NumbersSources
Reaxys:19533553Reaxys