N,N'-[(3',6'-Dihydroxy-3-Oxospiro[Isobenzofuran-1(3H),9'-[9H]Xanthene]-4',5'-Diyl)Bis(Methylene)]Bis[N-(Carboxymethyl)-Glycine Calcium Potassium Salt (2:5:2)
[CAS# 36352-49-5]

Identification

• Name: N,N'-[(3',6'-Dihydroxy-3-Oxospiro[Isobenzofuran-1(3H),9'-[9H]Xanthene]-4',5'-Diyl)Bis(Methylene)]Bis[N-(Carboxymethyl)-Glycine Calcium Potassium Salt (2:5:2)
• Synonyms: 2-[[5'-[(Bis(Carboxymethyl)Amino)Methyl]-3',6'-Dihydroxy-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-4'-Yl]Methyl-(Carboxymethyl)Amino]Acetic Acid; Calcium; Potassium; 2-[[5'-[(Bis(Carboxymethyl)Amino)Methyl]-3',6'-Dihydroxy-3-Oxo-4'-Spiro[Isobenzofuran-1,9'-Xanthene]Yl]Methyl-(Carboxymethyl)Amino]Acetic Acid; Calcium; Potassium
• Molecular Formula: C₆₀H₅₂Ca₅K₂N₄O₂₆
• Molecular Weight: 1523.68
• CAS Registry Number: 36352-49-5
• EINECS: 252-990-0
• SMILES: [Ca].[Ca].[Ca].[Ca].[Ca].[K].[K].O4C1(C3=C(OC2=C1C=CC(=C2CN(CC(=O)O)CC(=O)O)O)C(=C(O)C=C3)CN(CC(=O)O)CC(=O)O)C5=C(C4=O)C=CC=C5.O9C6(C8=C(OC7=C6C=CC(=C7CN(CC(=O)O)CC(=O)O)O)C(=C(O)C=C8)CN(CC(=O)O)CC(=O)O)C%10=C(C9=O)C=CC=C%10
• InChI: 1S/2C30H26N2O13.5Ca.2K/c2*33-21-7-5-19-27(16(21)9-31(11-23(35)36)12-24(37)38)44-28-17(10-32(13-25(39)40)14-26(41)42)22(34)8-6-20(28)30(19)18-4-2-1-3-15(18)29(43)45-30;;;;;;;/h2*1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
• InChIKey: QIYLZCICMAIZDA-UHFFFAOYSA-N

Properties

• Boiling point: 959°C at 760 mmHg (Cal.)
• Flash point: 533.8°C (Cal.)