2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]benzoic acid sulfate
[CAS# 84912-22-1]

Identification

• Name: 2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]benzoic acid sulfate
• Synonyms: 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydrogen sulphate
• Molecular Formula: C₂₈H₃₁N₂O₇S
• Molecular Weight: 539.62
• CAS Registry Number: 84912-22-1
• EINECS: 284-485-6
• SMILES: [O-]S([O-])(=O)=O.OC(=O)c4ccccc4c1c3ccc(cc3[o+]c2cc(ccc12)N(CC)CC)N(CC)CC
• InChI: 1S/C28H30N2O3.H2O4S/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-5(2,3)4/h9-18H,5-8H2,1-4H3;(H2,1,2,3,4)/p-1
• InChIKey: BNZWRERQQNZTGE-UHFFFAOYSA-M