Disodium 2-Methyl-4-[[4-[[4-[(3-Tolyl)Amino]Phenyl][4-[(3-Methyl-4-Sulphonatophenyl)Amino]Phenyl]Methylene]-2,5-Cyclohexadien-1-Ylidene]Amino]Benzenesulphonate
[CAS# 95873-57-7]

Identification

• Name: Disodium 2-Methyl-4-[[4-[[4-[(3-Tolyl)Amino]Phenyl][4-[(3-Methyl-4-Sulphonatophenyl)Amino]Phenyl]Methylene]-2,5-Cyclohexadien-1-Ylidene]Amino]Benzenesulphonate
• Synonyms: Disodium 2-Methyl-4-[[4-[[4-[(3-Methylphenyl)Amino]Phenyl]-[4-(3-Methyl-4-Sulfonato-Phenyl)Imino-1-Cyclohexa-2,5-Dienylidene]Methyl]Phenyl]Amino]Benzenesulfonate; Disodium 2-Methyl-4-((4-((4-((3-Tolyl)Amino)Phenyl)(4-((3-Methyl-4-Sulphonatophenyl)Amino)Phe
• Molecular Formula: C₄₀H₃₃N₃Na₂O₆S₂
• Molecular Weight: 761.82
• CAS Registry Number: 95873-57-7
• EINECS: 306-047-6
• SMILES: C5=C(C(=C2C=CC(=NC1=CC(=C([S]([O-])(=O)=O)C=C1)C)C=C2)C4=CC=C(NC3=CC=CC(=C3)C)C=C4)C=CC(=C5)NC6=CC(=C([S]([O-])(=O)=O)C=C6)C.[Na+].[Na+]
• InChI: 1S/C40H35N3O6S2.2Na/c1-26-5-4-6-35(23-26)41-32-13-7-29(8-14-32)40(30-9-15-33(16-10-30)42-36-19-21-38(27(2)24-36)50(44,45)46)31-11-17-34(18-12-31)43-37-20-22-39(28(3)25-37)51(47,48)49;;/h4-25,41-42H,1-3H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
• InChIKey: BSYWGPDWFWXDCJ-UHFFFAOYSA-L