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CHEBI:34906 - Patent blue

Default Structure
ChEBI IDCHEBI:34906
ChEBI NamePatent blue
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H31N2O6S2.Na
Net Charge0
Average Mass566.677
Monoisotopic Mass566.15212
SMILESCCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1.[Na+]
InChIInChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
InChIKeySJEYSFABYSGQBG-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Patent blue (CHEBI:34906) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Patent blueKEGG COMPOUND
Manual XrefsDatabases
C13725KEGG COMPOUND
Registry NumbersSources
CAS:129-17-9KEGG COMPOUND