2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]benzoic acid phosphate
[CAS# 97280-69-8]

Identification

• Name: 2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]benzoic acid phosphate
• Synonyms: tris[9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium] phosphate
• Molecular Formula: C₈₄H₉₃N₆O₁₃P
• Molecular Weight: 1425.64
• CAS Registry Number: 97280-69-8
• EINECS: 306-463-8
• SMILES: OC(=O)c1ccccc1c3c4ccc(cc4[o+]c2cc(ccc23)N(CC)CC)N(CC)CC.OC(=O)c1ccccc1c3c4ccc(cc4[o+]c2cc(ccc23)N(CC)CC)N(CC)CC.OC(=O)c4ccccc4c1c3ccc(cc3[o+]c2cc(ccc12)N(CC)CC)N(CC)CC.[O-]P([O-])([O-])=O
• InChI: 1S/3C28H30N2O3.H3O4P/c3*1-5-29(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/h3*9-18H,5-8H2,1-4H3;(H3,1,2,3,4)
• InChIKey: UZRKOJLQCTWNFY-UHFFFAOYSA-N