Sodium 1-amino-4-{[3-(isobutoxycarbonyl)phenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate
[CAS# 85455-37-4]

Identification

• Name: Sodium 1-amino-4-{[3-(isobutoxycarbonyl)phenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate
• Synonyms: sodium 1-(2-methylpropyl) 3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino]benzoate
• Molecular Formula: C₂₅H₂₁N₂NaO₇S
• Molecular Weight: 516.50
• CAS Registry Number: 85455-37-4
• EINECS: 287-272-6
• SMILES: [Na+].CC(C)COC(=O)c1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O
• InChI: 1S/C25H22N2O7S.Na/c1-13(2)12-34-25(30)14-6-5-7-15(10-14)27-18-11-19(35(31,32)33)22(26)21-20(18)23(28)16-8-3-4-9-17(16)24(21)29;/h3-11,13,27H,12,26H2,1-2H3,(H,31,32,33);/q;+1/p-1
• InChIKey: NUZUJPAPCOOFAA-UHFFFAOYSA-M