9-(2-Carboxylato-4-carboxyphenyl)-3,6-bis(diethylamino)xanthylium
[CAS# 90066-13-0]

Identification

• Name: 9-(2-Carboxylato-4-carboxyphenyl)-3,6-bis(diethylamino)xanthylium
• Synonyms: 3-Carboxy-4-(3-Diethylamino-6-Diethylazaniumylidene-Xanthen-9-Yl)Benzoate; 3-Carboxy-4-(3-Diethylamino-6-Diethylazaniumylidene-9-Xanthenyl)Benzoate; Xanthylium, 9-(2,4-Dicarboxyphenyl)-3,6-Bis(Diethylamino)-, Hydroxide, Inner Salt
• Molecular Formula: C₂₉H₃₀N₂O₅
• Molecular Weight: 486.57
• CAS Registry Number: 90066-13-0
• SMILES: [O+]1=C4C(=C(C2=C1C=C(N(CC)CC)C=C2)C3=C(C=C(C=C3)C([O-])=O)C(O)=O)C=CC(=C4)N(CC)CC
• InChI: 1S/C29H30N2O5/c1-5-30(6-2)19-10-13-22-25(16-19)36-26-17-20(31(7-3)8-4)11-14-23(26)27(22)21-12-9-18(28(32)33)15-24(21)29(34)35/h9-17H,5-8H2,1-4H3,(H-,32,33,34,35)
• InChIKey: NZRQKXUQAXJACC-UHFFFAOYSA-N