Fluress
[CAS# 37209-61-3]

Identification

• Name: Fluress
• Synonyms: Tetrasodium; 2-[Carboxymethyl-[2-[Carboxymethyl-(2-Oxido-2-Oxo-Ethyl)Amino]Ethyl]Amino]Acetate; 2-Diethylaminoethyl 4-Amino-3-Butoxy-Benzoate; 3-Oxospiro[Isobenzofuran-1,9'-Xanthene]-3',6'-Diolate; 1,1,1-Trichloro-2-Methyl-Propan-2-Ol; 1-Vinylpyrrolidin-2-One
• Molecular Formula: C₅₇H₆₉Cl₄N₅Na₄O₁₈
• Molecular Weight: 1345.97
• CAS Registry Number: 37209-61-3
• SMILES: O2C3(C1=CC=CC=C1C2=O)C5=C(OC4=C3C=CC(=C4)[O-])C=C([O-])C=C5.O(CCN(CC)CC)C(=O)C6=CC(=C(N)C=C6)OCCCC.OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O.N7(CCCC7=O)C=C.[H+].CC(O)(C(Cl)(Cl)Cl)C.[Cl-].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C20H12O5.C17H28N2O3.C10H16N2O8.C6H9NO.C4H7Cl3O.ClH.4Na/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;1-2-7-5-3-4-6(7)8;1-3(2,8)4(5,6)7;;;;;/h1-10,21-22H;8-9,13H,4-7,10-12,18H2,1-3H3;1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2H,1,3-5H2;8H,1-2H3;1H;;;;/q;;;;;;4*+1/p-4
• InChIKey: NOPBAFOXKXYZHK-UHFFFAOYSA-J

Properties

• Boiling point: 620.8°C at 760 mmHg (Cal.)
• Flash point: 232.6°C (Cal.)