Trisodium 1-Amino-4-[[4-[[4-[[4-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulphonato-1-Anthryl)Amino]Phenyl]Amino]-1,4-Dioxobut-2-Enyl]Amino]-3-Sulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 71873-44-4]

Identification

• Name: Trisodium 1-Amino-4-[[4-[[4-[[4-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulphonato-1-Anthryl)Amino]Phenyl]Amino]-1,4-Dioxobut-2-Enyl]Amino]-3-Sulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Trisodium 1-Amino-4-[[4-[[(E)-4-[[4-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]Phenyl]Amino]-4-Oxo-But-2-Enoyl]Amino]-3-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Trisodium 1-Amino-4-[[4-[[(E)-4-[[4-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]Phenyl]Amino]-1,4-Dioxobut-2-Enyl]Amino]-3-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Trisodium 1-Amino-4-[[4-[[(E)-4-[[4-[(4-Amino-9,10-Diketo-3-Sulfonato-1-Anthryl)Amino]Phenyl]Amino]-4-Keto-But-2-Enoyl]Amino]-3-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₄₄H₂₇N₆Na₃O₁₅S₃
• Molecular Weight: 1044.88
• CAS Registry Number: 71873-44-4
• EINECS: 276-120-4
• SMILES: C1=C([S]([O-])(=O)=O)C(=C7C(=C1NC6=CC=C(NC(=O)\C=C\C(=O)NC5=CC=C(NC2=C3C(=C(N)C(=C2)[S]([O-])(=O)=O)C(=O)C4=C(C3=O)C=CC=C4)C=C5)C(=C6)[S]([O-])(=O)=O)C(=O)C8=C(C7=O)C=CC=C8)N.[Na+].[Na+].[Na+]
• InChI: 1S/C44H30N6O15S3.3Na/c45-39-31(67(60,61)62)18-28(35-37(39)43(55)25-7-3-1-5-23(25)41(35)53)47-20-9-11-21(12-10-20)49-33(51)15-16-34(52)50-27-14-13-22(17-30(27)66(57,58)59)48-29-19-32(68(63,64)65)40(46)38-36(29)42(54)24-6-2-4-8-26(24)44(38)56;;;/h1-19,47-48H,45-46H2,(H,49,51)(H,50,52)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;/q;3*+1/p-3/b16-15+
• InChIKey: TZOKVLUYKXRULK-MOJNZBSRSA-K