Disodium 4-[[4-[Bis[4-[(4-Sulphonatophenyl)Amino]Phenyl]Methylene]Cyclohexa-2,5-Dien-1-Ylidene]Amino]Benzenesulphonate
[CAS# 6415-98-1]

Identification

• Name: Disodium 4-[[4-[Bis[4-[(4-Sulphonatophenyl)Amino]Phenyl]Methylene]Cyclohexa-2,5-Dien-1-Ylidene]Amino]Benzenesulphonate
• Synonyms: Benzenesulfonic Acid, 4-((4-(Bis(4-((4-Sulfophenyl)Amino)Phenyl)Methylene)-2,5-Cyclohexadien-1-Ylidene)Amino)-, Disodium Salt; Disodium 4-((4-(Bis(4-((4-Sulphonatophenyl)Amino)Phenyl)Methylene)Cyclohexa-2,5-Dien-1-Ylidene)Amino)Benzenesulphonate
• Molecular Formula: C₃₇H₂₆N₃Na₂O₉S₃
• Molecular Weight: 798.79
• CAS Registry Number: 6415-98-1
• EINECS: 229-121-9
• SMILES: C5=C(C(C2=CC=C(NC1=CC=C([S]([O-])(=O)=O)C=C1)C=C2)=C4C=CC(=NC3=CC=C([S]([O-])(=O)=O)C=C3)C=C4)C=CC(=C5)NC6=CC=C([S]([O-])(=O)=O)C=C6.[Na+].[Na+]
• InChI: 1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-3
• InChIKey: MCPLVIGCWWTHFH-UHFFFAOYSA-K