N-Ethyl-N-(4-((4-(ethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-Benzenemethanaminium inner salt, monosodium salt
[CAS# 67828-27-7]

Identification

• Name: N-Ethyl-N-(4-((4-(ethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-Benzenemethanaminium inner salt, monosodium salt
• Synonyms: Sodium 2-(4-Ethylaminophenyl)-5-[[Ethyl-[4-[[4-[Ethyl-(3-Sulfonatobenzyl)Azaniumylidene]-1-Cyclohexa-2,5-Dienylidene]Methyl]Phenyl]Amino]Methyl]Benzenesulfonate; Sodio(Ethyl)(4-((4-(Ethylamino)Phenyl)(4-(Ethyl(3-Sulphonatobenzyl)Amino)Phenyl)Methylene)Cyclohexa-2,5-Dien-1-Ylidene)(3-Sulphonatobenzyl)Ammonium
• Molecular Formula: C₃₉H₄₀N₃NaO₆S₂
• Molecular Weight: 733.87
• CAS Registry Number: 67828-27-7
• EINECS: 267-249-7
• SMILES: [CH+](C3=CC=C(N(CC1=CC=C(C(=C1)[S]([O-])(=O)=O)C2=CC=C(NCC)C=C2)CC)C=C3)C5=CC=C(N(CC4=CC=CC(=C4)[S]([O-])(=O)=O)CC)C=C5.[Na+]
• InChI: 1S/C39H41N3O6S2.Na/c1-4-40-34-17-15-33(16-18-34)38-23-14-32(26-39(38)50(46,47)48)28-42(6-3)36-21-12-30(13-22-36)24-29-10-19-35(20-11-29)41(5-2)27-31-8-7-9-37(25-31)49(43,44)45;/h7-26,40H,4-6,27-28H2,1-3H3,(H-,43,44,45,46,47,48);/q;+1/p-1
• InChIKey: QEWJMCDXPTUEBT-UHFFFAOYSA-M