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CHEBI:82471 - Guinea Green B

Default Structure
ChEBI IDCHEBI:82471
ChEBI NameGuinea Green B
Stars
DownloadsMolfile
FormulaC37H35N2O6S2.2Na
Net Charge+1
Average Mass713.809
Monoisotopic Mass713.17264
SMILESCCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2)cc1.[Na+].[Na+]
InChIInChI=1S/C37H36N2O6S2.2Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);;/q;2*+1/p-1
InChIKeySYLHZUASBDQZLR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Guinea Green B (CHEBI:82471) is a organic molecular entity (CHEBI:50860)
Synonym  Source
C.I. Acid Green 3KEGG COMPOUND
Manual XrefsDatabases
C19428KEGG COMPOUND
Registry NumbersSources
CAS:4680-78-8KEGG COMPOUND