2-[2,7-Bis[[Bis(Carboxymethyl)Amino]Methyl]-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl]-Benzoic Acid Sodium Salt (1:4)
[CAS# 62698-56-0]

Identification

• Name: 2-[2,7-Bis[[Bis(Carboxymethyl)Amino]Methyl]-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl]-Benzoic Acid Sodium Salt (1:4)
• Synonyms: Tetrasodium 2-[[7-[[Bis(2-Oxido-2-Oxo-Ethyl)Amino]Methyl]-9-(2-Carboxyphenyl)-3-Hydroxy-6-Oxo-Xanthen-2-Yl]Methyl-(2-Oxido-2-Oxo-Ethyl)Amino]Acetate; Tetrasodium 2-[[7-[[Bis(2-Oxido-2-Oxoethyl)Amino]Methyl]-9-(2-Carboxyphenyl)-3-Hydroxy-6-Oxo-2-Xanthenyl]Methyl-(2-Oxido-2-Oxoethyl)Amino]Acetate; Tetrasodium 2-[[7-[[Bis(2-Keto-2-Oxido-Ethyl)Amino]Methyl]-9-(2-Carboxyphenyl)-3-Hydroxy-6-Keto-Xanthen-2-Yl]Methyl-(2-Keto-2-Oxido-Ethyl)Amino]Acetate
• Molecular Formula: C₃₀H₂₂N₂Na₄O₁₃
• Molecular Weight: 710.47
• CAS Registry Number: 62698-56-0
• EINECS: 263-702-8
• SMILES: C23=C(C1=CC(=C(O)C=C1OC2=CC(=O)C(=C3)CN(CC([O-])=O)CC([O-])=O)CN(CC([O-])=O)CC([O-])=O)C4=CC=CC=C4C(=O)O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C30H26N2O13.4Na/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)29(17-3-1-2-4-18(17)30(43)44)20-6-16(22(34)8-24(20)45-23)10-32(13-27(39)40)14-28(41)42;;;;/h1-8,33H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44);;;;/q;4*+1/p-4
• InChIKey: WCODCQAZATVMQI-UHFFFAOYSA-J

Properties

• Boiling point: 1017.1°C at 760 mmHg (Cal.)
• Flash point: 568.9°C (Cal.)