9-[2-(Ethoxycarbonyl)Phenyl]-3,6-Bis(Ethylamino)-2,7-Dimethylxanthylium Ethyl Sulphate
[CAS# 26694-69-9]

Identification

• Name: 9-[2-(Ethoxycarbonyl)Phenyl]-3,6-Bis(Ethylamino)-2,7-Dimethylxanthylium Ethyl Sulphate
• Synonyms: [9-(2-Ethoxycarbonylphenyl)-6-Ethylamino-2,7-Dimethyl-Xanthen-3-Ylidene]-Ethyl-Ammonium; Ethyl Sulfate; [9-(2-Ethoxycarbonylphenyl)-6-Ethylamino-2,7-Dimethyl-3-Xanthenylidene]-Ethylammonium; Ethyl Sulfate; [9-(2-Carbethoxyphenyl)-6-Ethylamino-2,7-Dimethyl-Xanthen-3-Ylidene]-Ethyl-Ammonium; Ethyl Sulfate
• Molecular Formula: C₃₀H₃₆N₂O₇S
• Molecular Weight: 568.68
• CAS Registry Number: 26694-69-9
• EINECS: 247-906-4
• SMILES: [O+]1=C4C(=C(C2=C1C=C(NCC)C(=C2)C)C3=C(C(OCC)=O)C=CC=C3)C=C(C(=C4)NCC)C.C(O[S]([O-])(=O)=O)C
• InChI: 1S/C28H31N2O3.C2H6O4S/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;1-2-6-7(3,4)5/h9-16,29-30H,6-8H2,1-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
• InChIKey: JQMYOJYEBJFAHA-UHFFFAOYSA-M