CHEBI:82293 - Benzyl violet 4B

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ChEBI Name Benzyl violet 4B
ChEBI ID CHEBI:82293
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H41N3NaO6S2
Net Charge +1
Average Mass 734.87900
Monoisotopic Mass 734.23290
InChI InChI=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
InChIKey CIGATVLAEMOWGZ-UHFFFAOYSA-N
SMILES [Na+].CCN(Cc1ccc(cc1)S(O)(=O)=O)c1ccc(cc1)C(c1ccc(cc1)N(C)C)=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O
ChEBI Ontology
Outgoing Benzyl violet 4B (CHEBI:82293) is a organic molecular entity (CHEBI:50860)
Synonym Source
Benzyl Violet KEGG COMPOUND
Manual Xref Database
C19198 KEGG COMPOUND
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Registry Number Type Source
1694-09-3 CAS Registry Number KEGG COMPOUND