Acid Blue 98
[CAS# 6378-89-8]

Identification

• Name: Acid Blue 98
• Synonyms: Sodium 2-Diethylamino-5-[[9-[Ethyl-[(3-Sulfonatophenyl)Methyl]Amino]-7-Phenyl-Benzo[C]Phenazin-7-Ium-5-Yl]Amino]Benzenesulfonate; Sodium 2-Diethylamino-5-[[9-[Ethyl-[(3-Sulfonatophenyl)Methyl]Amino]-7-Phenyl-5-Benzo[C]Phenazin-7-Iumyl]Amino]Benzenesulfonate; Sodium 2-Diethylamino-5-[[9-[Ethyl-(3-Sulfonatobenzyl)Amino]-7-Phenyl-Benzo[C]Phenazin-7-Ium-5-Yl]Amino]Benzenesulfonate
• Molecular Formula: C₄₁H₃₈N₅NaO₆S₂
• Molecular Weight: 783.89
• CAS Registry Number: 6378-89-8
• SMILES: C5=C(NC1=CC=C(N(CC)CC)C(=C1)[S]([O-])(=O)=O)C2=CC=CC=C2C6=NC4=CC=C(N(CC3=CC=CC(=C3)[S]([O-])(=O)=O)CC)C=C4[N+](=C56)C7=CC=CC=C7.[Na+]
• InChI: 1S/C41H39N5O6S2.Na/c1-4-44(5-2)37-22-19-29(24-40(37)54(50,51)52)42-36-26-39-41(34-18-11-10-17-33(34)36)43-35-21-20-31(25-38(35)46(39)30-14-8-7-9-15-30)45(6-3)27-28-13-12-16-32(23-28)53(47,48)49;/h7-26H,4-6,27H2,1-3H3,(H2,47,48,49,50,51,52);/q;+1/p-1
• InChIKey: NSHHRCZECSCEJY-UHFFFAOYSA-M