2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-Methylphenoxy]Ethoxy]-4-(2,7-Dichloro-3-Hydroxy-6-Oxoxanthen-9-Yl)Phenyl]-(Carboxymethyl)Amino]Acetic Acid
[CAS# 121714-13-4]

Identification

• Name: 2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-Methylphenoxy]Ethoxy]-4-(2,7-Dichloro-3-Hydroxy-6-Oxoxanthen-9-Yl)Phenyl]-(Carboxymethyl)Amino]Acetic Acid
• Synonyms: 2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-Methyl-Phenoxy]Ethoxy]-4-(2,7-Dichloro-3-Hydroxy-6-Oxo-Xanthen-9-Yl)Phenyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-Methylphenoxy]Ethoxy]-4-(2,7-Dichloro-3-Hydroxy-6-Oxo-9-Xanthenyl)Phenyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-Methyl-Phenoxy]Ethoxy]-4-(2,7-Dichloro-3-Hydroxy-6-Keto-Xanthen-9-Yl)Phenyl]-(Carboxymethyl)Amino]Acetic Acid
• Molecular Formula: C₃₆H₃₀Cl₂N₂O₁₃
• Molecular Weight: 769.54
• CAS Registry Number: 121714-13-4
• SMILES: C1=C(Cl)C(=CC3=C1C(=C2C(=CC(=O)C(=C2)Cl)O3)C4=CC(=C(N(CC(=O)O)CC(=O)O)C=C4)OCCOC5=C(N(CC(=O)O)CC(=O)O)C=CC(=C5)C)O
• InChI: 1S/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)
• InChIKey: OZLGRUXZXMRXGP-UHFFFAOYSA-N

Properties

• Density: 1.665g/cm³ (Cal.)
• Boiling point: 1055.958°C at 760 mmHg (Cal.)
• Flash point: 592.422°C (Cal.)
• solubility: H2O