Ethyl 2-[3,6-Bis(Ethylamino)-2,7-Dimethyl-Xanthen-10-Ium-9-Yl]Benzoate Phosphate
[CAS# 38875-96-6]

Identification

• Name: Ethyl 2-[3,6-Bis(Ethylamino)-2,7-Dimethyl-Xanthen-10-Ium-9-Yl]Benzoate Phosphate
• Synonyms: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium dihydrogen phosphate
• Molecular Formula: C₂₈H₃₁N₂O₇P
• Molecular Weight: 538.53
• CAS Registry Number: 38875-96-6
• EINECS: 254-173-4
• SMILES: [O-]P([O-])([O-])=O.CCOC(=O)c4ccccc4c1c3cc(C)c(NCC)cc3[o+]c2cc(NCC)c(C)cc12
• InChI: 1S/C28H31N2O3.H3O4P/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;1-5(2,3)4/h9-16,29-30H,6-8H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3
• InChIKey: XJLUOIGLDLMUBZ-UHFFFAOYSA-K