[4-[(2-Chlorophenyl)[4-[Ethyl[(3-Sulphonatophenyl)Methyl]Ammonio]Phenyl]Methylene]Cyclohexa-2,5-Dien-1-Ylidene](Ethyl)(3-Sulphonatobenzyl)Ammonium
[CAS# 25305-97-9]

Identification

• Name: [4-[(2-Chlorophenyl)[4-[Ethyl[(3-Sulphonatophenyl)Methyl]Ammonio]Phenyl]Methylene]Cyclohexa-2,5-Dien-1-Ylidene](Ethyl)(3-Sulphonatobenzyl)Ammonium
• Synonyms: 3-[[[4-[(2-Chlorophenyl)-[4-[Ethyl-[(3-Sulfonatophenyl)Methyl]Azaniumylidene]-1-Cyclohexa-2,5-Dienylidene]Methyl]Phenyl]-Ethyl-Ammonio]Methyl]Benzenesulfonate; 3-[[[4-[(2-Chlorophenyl)-[4-[Ethyl-[(3-Sulfonatophenyl)Methyl]Azaniumylidene]-1-Cyclohexa-2,5-Dienylidene]Methyl]Phenyl]-Ethylammonio]Methyl]Benzenesulfonate; 3-[[[4-[(2-Chlorophenyl)-[4-[Ethyl-(3-Sulfonatobenzyl)Azaniumylidene]-1-Cyclohexa-2,5-Dienylidene]Methyl]Phenyl]-Ethyl-Ammonio]Methyl]Benzenesulfonate
• Molecular Formula: C₃₇H₃₅ClN₂O₆S₂
• Molecular Weight: 703.27
• CAS Registry Number: 25305-97-9
• EINECS: 246-804-7
• SMILES: [C+](C2=CC=C([NH+](CC1=CC(=CC=C1)[S]([O-])(=O)=O)CC)C=C2)(C4=CC=C(N(CC3=CC(=CC=C3)[S]([O-])(=O)=O)CC)C=C4)C5=C(Cl)C=CC=C5
• InChI: 1S/C37H35ClN2O6S2/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46)
• InChIKey: KZMRYBLIGYQPPP-UHFFFAOYSA-N