4-[3,6-Bis(diethylamino)-9H-xanthen-9-yl]-1,3-benzenedisulfonic acid
[CAS# 85681-99-8]

Identification

• Name: 4-[3,6-Bis(diethylamino)-9H-xanthen-9-yl]-1,3-benzenedisulfonic acid
• Synonyms: 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid; 4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzene-1,3-disulphonic acid
• Molecular Formula: C₂₇H₃₂N₂O₇S₂
• Molecular Weight: 560.68
• CAS Registry Number: 85681-99-8
• EINECS: 288-235-7
• SMILES: O=S(=O)(O)c1ccc(c(c1)S(=O)(=O)O)C3c4c(Oc2c3ccc(N(CC)CC)c2)cc(cc4)N(CC)CC
• InChI: 1S/C27H32N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17,27H,5-8H2,1-4H3,(H,30,31,32)(H,33,34,35)
• InChIKey: ZMQJXVGDHQCYTO-UHFFFAOYSA-N

Properties

• Density: 1.371g/cm³ (Cal.)