Phenolphthalein Complexon
[CAS# 62698-58-2]

Identification

• Name: Phenolphthalein Complexon
• Synonyms: 2-[[5-[1-[3-[(Bis(Carboxymethyl)Amino)Methyl]-4-Hydroxy-Phenyl]-3-Oxo-Isobenzofuran-1-Yl]-2-Hydroxy-Phenyl]Methyl-(Carboxymethyl)Amino]Acetic Acid; Sodium; 2-[[5-[1-[3-[(Bis(Carboxymethyl)Amino)Methyl]-4-Hydroxyphenyl]-3-Oxo-1-Isobenzofuranyl]-2-Hydroxyphenyl]Methyl-(Carboxymethyl)Amino]Acetic Acid; Sodium; 2-[[5-[1-[3-[(Bis(Carboxymethyl)Amino)Methyl]-4-Hydroxy-Phenyl]-3-Keto-Isobenzofuran-1-Yl]-2-Hydroxy-Benzyl]-(Carboxymethyl)Amino]Acetic Acid; Sodium
• Molecular Formula: C₃₀H₂₈N₂NaO₁₂
• Molecular Weight: 631.55
• CAS Registry Number: 62698-58-2
• SMILES: [Na].C1=C(CN(CC(=O)O)CC(O)=O)C(=CC=C1C2(OC(=O)C3=CC=CC=C23)C4=CC(=C(O)C=C4)CN(CC(=O)O)CC(O)=O)O
• InChI: 1S/C30H28N2O12.Na/c33-23-7-5-19(9-17(23)11-31(13-25(35)36)14-26(37)38)30(22-4-2-1-3-21(22)29(43)44-30)20-6-8-24(34)18(10-20)12-32(15-27(39)40)16-28(41)42;/h1-10,33-34H,11-16H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
• InChIKey: DZAQIXAQOUPULF-UHFFFAOYSA-N