4,4'-{Methylenebis[(3,5-dimethyl-4,1-phenylene)imino]}bis(1-amino-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid)
[CAS# 93940-49-9]

Identification

• Name: 4,4'-{Methylenebis[(3,5-dimethyl-4,1-phenylene)imino]}bis(1-amino-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid)
• Synonyms: 4,4'-[methylenebis[(3,5-dimethyl-4,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid]
• Molecular Formula: C₄₅H₃₆N₄O₁₀S₂
• Molecular Weight: 856.92
• CAS Registry Number: 93940-49-9
• EINECS: 300-445-3
• SMILES: OS(=O)(=O)c6cc(Nc5cc(C)c(Cc1c(C)cc(cc1C)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S(O)(=O)=O)c(C)c5)c8c(c6N)C(=O)c7ccccc7C8=O
• InChI: 1S/C45H36N4O10S2/c1-20-13-24(48-32-18-34(60(54,55)56)40(46)38-36(32)42(50)26-9-5-7-11-28(26)44(38)52)14-21(2)30(20)17-31-22(3)15-25(16-23(31)4)49-33-19-35(61(57,58)59)41(47)39-37(33)43(51)27-10-6-8-12-29(27)45(39)53/h5-16,18-19,48-49H,17,46-47H2,1-4H3,(H,54,55,56)(H,57,58,59)
• InChIKey: YBFZDXHFZMMVQO-UHFFFAOYSA-N

Properties

• Density: 1.543g/cm³ (Cal.)