Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
mono(4-(((E)-((E)-4-((4-(4-ethoxyphenylamino)phenyl)(4-(ethyl(4-sulfonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dienylidene)(ethyl)ammonio)methyl)benzenesulfonate) sodium salt

Molecular and structural information

Molecular formula:
C45H45N3NaO7S2
Molecular weight:
826.974
SMILES notation:
[Na+].O=S([O-])(=O)c1ccc(CN(CC)c2ccc(cc2)[C+](c2ccc(Nc3ccc(OCC)cc3)cc2)c2ccc(cc2)N(Cc2ccc(cc2)S([O-])(=O)=O)CC)cc1
InChl:
InChI=1S/C45H45N3O7S2.Na/c1-4-47(31-33-7-27-43(28-8-33)56(49,50)51)40-21-13-36(14-22-40)45(35-11-17-38(18-12-35)46-39-19-25-42(26-20-39)55-6-3)37-15-23-41(24-16-37)48(5-2)32-34-9-29-44(30-10-34)57(52,53)54;/h7-30,46H,4-6,31-32H2,1-3H3,(H-,49,50,51,52,53,54);/q;+1/p-1
Structural formula:
Chemical structure