Benzyl Violet 4B

Benzyl Violet 4B, term code RF-00012178-PAR of the EFSA Harmonized terminology for scientific research. IDENTIFIERS: European Community number (EC Number): 216-901-9. IUPAC name: sodium;3-[[4-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate. Chemical Abstracts Service (CAS) number: 1694-09-3. Chemical formula: C39H40N3NaO6S2. Simplified molecular-input line-entry system (SMILES) notation: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=N+C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+]. International Chemical Identifier (InChITM): InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1/p-1.