Disodium 4,4'-[(1,4-dioxo-2-butene-1,4-diyl)bis(imino-4,1-phenyleneimino)]bis(1-amino-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate)
[CAS# 71873-45-5]

Identification

• Name: Disodium 4,4'-[(1,4-dioxo-2-butene-1,4-diyl)bis(imino-4,1-phenyleneimino)]bis(1-amino-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate)
• Synonyms: disodium 4,4'-[(1,4-dioxo-2-butene-1,4-diyl)bis(imino-4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]
• Molecular Formula: C₄₄H₂₈N₆Na₂O₁₂S₂
• Molecular Weight: 942.84
• CAS Registry Number: 71873-45-5
• EINECS: 276-122-5
• SMILES: [Na+].[Na+].[O-]S(=O)(=O)c6cc(Nc1ccc(cc1)NC(=O)C=CC(=O)Nc2ccc(cc2)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S([O-])(=O)=O)c8c(c6N)C(=O)c7ccccc7C8=O
• InChI: 1S/C44H30N6O12S2.2Na/c45-39-31(63(57,58)59)19-29(35-37(39)43(55)27-7-3-1-5-25(27)41(35)53)47-21-9-13-23(14-10-21)49-33(51)17-18-34(52)50-24-15-11-22(12-16-24)48-30-20-32(64(60,61)62)40(46)38-36(30)42(54)26-6-2-4-8-28(26)44(38)56;;/h1-20,47-48H,45-46H2,(H,49,51)(H,50,52)(H,57,58,59)(H,60,61,62);;/q;2*+1/p-2
• InChIKey: XOMNOKKFFFJVHS-UHFFFAOYSA-L