Tetraammonium {[3-(2-{2-[Bis(Carboxylatomethyl)Amino]-5-(2,7-Dichloro-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Phenoxy}Ethoxy)-5-Methylphenyl](Carboxylatomethyl)Amino}Acetate
[CAS# 134907-84-9]

Identification

• Name: Tetraammonium {[3-(2-{2-[Bis(Carboxylatomethyl)Amino]-5-(2,7-Dichloro-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Phenoxy}Ethoxy)-5-Methylphenyl](Carboxylatomethyl)Amino}Acetate
• Synonyms: Fluo 3 ammonium salt; FLUO 3, Pentaammonium Salt; F4897_SIAL
• Molecular Formula: C₃₆H₄₂Cl₂N₆O₁₃
• Molecular Weight: 837.66
• CAS Registry Number: 134907-84-9
• SMILES: [O-]C(=O)CN(c5cc(cc(OCCOc4c(N(CC([O-])=O)CC([O-])=O)ccc(C=1c3c(OC=2C=1\C=C(\Cl)C(=O)C=2)cc(O)c(Cl)c3)c4)c5)C)CC([O-])=O.[NH4+].[NH4+].[NH4+].[NH4+]
• InChI: 1S/C36H30Cl2N2O13.4H3N/c1-18-6-20(39(14-32(43)44)15-33(45)46)9-21(7-18)51-4-5-52-31-8-19(2-3-26(31)40(16-34(47)48)17-35(49)50)36-22-10-24(37)27(41)12-29(22)53-30-13-28(42)25(38)11-23(30)36;;;;/h2-3,6-13,41H,4-5,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50);4*1H3
• InChIKey: CPAYISLADYFARG-UHFFFAOYSA-N

Properties

• Boiling point: 1162°C at 760 mmHg (Cal.)
• Flash point: 656.6°C (Cal.)
• Refractive index: (Cal.)