o-Cresolphthalein Complexone Tetrasodium Salt
[CAS# 62698-54-8]

Identification

• Name: o-Cresolphthalein Complexone Tetrasodium Salt
• Synonyms: Tetrasodium 2-[[5-[1-[3-[[Bis(2-Oxido-2-Oxo-Ethyl)Amino]Methyl]-4-Hydroxy-5-Methyl-Phenyl]-3-Oxo-Isobenzofuran-1-Yl]-2-Hydroxy-3-Methyl-Phenyl]Methyl-(2-Oxido-2-Oxo-Ethyl)Amino]Acetate; Tetrasodium 2-[[5-[1-[3-[[Bis(2-Oxido-2-Oxoethyl)Amino]Methyl]-4-Hydroxy-5-Methylphenyl]-3-Oxo-1-Isobenzofuranyl]-2-Hydroxy-3-Methylphenyl]Methyl-(2-Oxido-2-Oxoethyl)Amino]Acetate; Tetrasodium 2-[[5-[1-[3-[[Bis(2-Keto-2-Oxido-Ethyl)Amino]Methyl]-4-Hydroxy-5-Methyl-Phenyl]-3-Keto-Isobenzofuran-1-Yl]-2-Hydroxy-3-Methyl-Benzyl]-(2-Keto-2-Oxido-Ethyl)Amino]Acetate
• Molecular Formula: C₃₂H₂₈N₂Na₄O₁₂
• Molecular Weight: 724.54
• CAS Registry Number: 62698-54-8
• SMILES: C2(C1=CC(=C(C(=C1)CN(CC(=O)[O-])CC(=O)[O-])O)C)(OC(=O)C3=CC=CC=C23)C4=CC(=C(C(=C4)CN(CC(=O)[O-])CC(=O)[O-])O)C.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C32H32N2O12.4Na/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42;;;;/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;/q;4*+1/p-4
• InChIKey: KSMPPVYJZJBIES-UHFFFAOYSA-J

Properties

• Boiling point: 892.1°C at 760 mmHg (Cal.)
• Flash point: 493.4°C (Cal.)