FLUO 3

The CAS registry number of Glycine,N-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)- is 123632-39-3. In addition, the molecular formula is C₃₆H₃₀Cl₂N₂O₁₃ and the molecular weight is 769.54. The IUPAC name is 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid. What's more, it should be stored in a cool and dry place.

Physical properties about Glycine,N-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy]ethoxy]-4-methylphenyl]-N-(carboxymethyl)- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.8; (4)ACD/LogD (pH 7.4): -3.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 15; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 165.67 Å²; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 185.13 cm³; (15)Molar Volume: 462.1 cm³; (16)Polarizability: 73.39 ×10^-24cm³; (17)Surface Tension: 97.3 dyne/cm; (18)Density: 1.66 g/cm³; (19)Flash Point: 592.4 °C; (20)Enthalpy of Vaporization: 161.96 kJ/mol; (21)Boiling Point: 1056 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN(c5ccc(cc5OCCOc4c(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)C)CC(=O)O
(2)InChI: InChI=1/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)
(3)InChIKey: OZLGRUXZXMRXGP-UHFFFAOYAI