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CHEBI:82293 - Benzyl violet 4B

Default Structure
ChEBI IDCHEBI:82293
ChEBI NameBenzyl violet 4B
Stars
DownloadsMolfile
FormulaC39H41N3O6S2.Na
Net Charge+1
Average Mass734.896
Monoisotopic Mass734.23290
SMILESCCN(Cc1ccc(S(=O)(=O)O)cc1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(N(C)C)cc2)cc1.[Na+]
InChIInChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-10-24-37(25-11-29)49(43,44)45)35-20-14-32(15-21-35)39(31-12-18-34(19-13-31)40(3)4)33-16-22-36(23-17-33)42(6-2)28-30-8-7-9-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1
InChIKeyCIGATVLAEMOWGZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Benzyl violet 4B (CHEBI:82293) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Benzyl VioletKEGG COMPOUND
Manual XrefsDatabases
C19198KEGG COMPOUND
Registry NumbersSources
CAS:1694-09-3KEGG COMPOUND