(Benzyl)[4-[[4-[(Benzyl)Ethylammonio]Phenyl](2,4-Disulphonatophenyl)Methylene]Cyclohexa-2,5-Dien-1-Ylidene](Ethyl)Ammonium
[CAS# 21563-97-3]

Identification

• Name: (Benzyl)[4-[[4-[(Benzyl)Ethylammonio]Phenyl](2,4-Disulphonatophenyl)Methylene]Cyclohexa-2,5-Dien-1-Ylidene](Ethyl)Ammonium
• Synonyms: 4-[[4-(Ethyl-(Phenylmethyl)Azaniumylidene)-1-Cyclohexa-2,5-Dienylidene]-[4-(1-Methyl-2-Phenyl-Ethyl)Ammoniophenyl]Methyl]Benzene-1,3-Disulfonate; 4-[[4-(Ethyl-(Phenylmethyl)Azaniumylidene)-1-Cyclohexa-2,5-Dienylidene]-[4-(1-Methyl-2-Phenylethyl)Ammoniophenyl]Methyl]Benzene-1,3-Disulfonate; 4-[[4-(Benzyl-Ethyl-Azaniumylidene)-1-Cyclohexa-2,5-Dienylidene]-[4-(1-Methyl-2-Phenyl-Ethyl)Ammoniophenyl]Methyl]Benzene-1,3-Disulfonate
• Molecular Formula: C₃₇H₃₆N₂O₆S₂
• Molecular Weight: 668.82
• CAS Registry Number: 21563-97-3
• EINECS: 244-444-5
• SMILES: [C+](C2=CC=C(N(CC1=CC=CC=C1)CC)C=C2)(C3=C([S](=O)(=O)[O-])C=C([S](=O)(=O)[O-])C=C3)C5=CC=C([NH2+]C(CC4=CC=CC=C4)C)C=C5
• InChI: 1S/C37H36N2O6S2/c1-3-39(26-29-12-8-5-9-13-29)33-20-16-31(17-21-33)37(35-23-22-34(46(40,41)42)25-36(35)47(43,44)45)30-14-18-32(19-15-30)38-27(2)24-28-10-6-4-7-11-28/h4-23,25,27,38H,3,24,26H2,1-2H3,(H-,40,41,42,43,44,45)
• InChIKey: JKMIDPLSRDFFPA-UHFFFAOYSA-N