C.I.Acid Blue 127:1
[CAS# 12238-73-2]

Identification

• Name: C.I.Acid Blue 127:1
• Synonyms: Disodium 1-Amino-4-[[4-[[4-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]Phenyl]Methyl]Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 1-Amino-4-[[4-[[4-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]Phenyl]Methyl]Phenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Disodium 1-Amino-4-[[4-[4-[(4-Amino-9,10-Diketo-3-Sulfonato-1-Anthryl)Amino]Benzyl]Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₄₁H₂₆N₄Na₂O₁₀S₂
• Molecular Weight: 844.78
• CAS Registry Number: 12238-73-2
• SMILES: C8=C(NC1=CC=C(C=C1)CC5=CC=C(NC2=C3C(=C(N)C(=C2)[S]([O-])(=O)=O)C(=O)C4=C(C3=O)C=CC=C4)C=C5)C7=C(C(=O)C6=CC=CC=C6C7=O)C(=C8[S]([O-])(=O)=O)N.[Na+].[Na+]
• InChI: 1S/C41H28N4O10S2.2Na/c42-36-30(56(50,51)52)18-28(32-34(36)40(48)26-7-3-1-5-24(26)38(32)46)44-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)45-29-19-31(57(53,54)55)37(43)35-33(29)39(47)25-6-2-4-8-27(25)41(35)49;;/h1-16,18-19,44-45H,17,42-43H2,(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2
• InChIKey: RISWUWJFSHOUBJ-UHFFFAOYSA-L