Tetrasodium 4,4'-{(1,4-dioxo-2-butene-1,4-diyl)bis[imino(3-sulfonato-4,1-phenylene)imino]}bis(1-amino-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate)
[CAS# 71873-43-3]

Identification

• Name: Tetrasodium 4,4'-{(1,4-dioxo-2-butene-1,4-diyl)bis[imino(3-sulfonato-4,1-phenylene)imino]}bis(1-amino-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate)
• Synonyms: tetrasodium 4,4'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(3-sulphonato-4,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]
• Molecular Formula: C₄₄H₂₆N₆Na₄O₁₈S₄
• Molecular Weight: 1146.93
• CAS Registry Number: 71873-43-3
• EINECS: 276-119-9
• SMILES: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc5ccc(NC(=O)C=CC(=O)Nc1ccc(cc1S([O-])(=O)=O)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O)c(c5)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O
• InChI: 1S/C44H30N6O18S4.4Na/c45-39-31(71(63,64)65)17-27(35-37(39)43(55)23-7-3-1-5-21(23)41(35)53)47-19-9-11-25(29(15-19)69(57,58)59)49-33(51)13-14-34(52)50-26-12-10-20(16-30(26)70(60,61)62)48-28-18-32(72(66,67)68)40(46)38-36(28)42(54)22-6-2-4-8-24(22)44(38)56;;;;/h1-18,47-48H,45-46H2,(H,49,51)(H,50,52)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4
• InChIKey: FOQUVKSHIKKRAA-UHFFFAOYSA-J