Sodium 2-[2-(3-Ethyl-4-Oxo-2-Thioxooxazolidin-5-Yl)Prop-1-Enyl]-2H-Benzoxazole-3-Propylsulphonate
[CAS# 80879-56-7]

Identification

• Name: Sodium 2-[2-(3-Ethyl-4-Oxo-2-Thioxooxazolidin-5-Yl)Prop-1-Enyl]-2H-Benzoxazole-3-Propylsulphonate
• Synonyms: Sodium [(E)-2-(3-Ethyl-4-Oxo-2-Sulfanylidene-1,3-Oxazolidin-5-Yl)Prop-1-Enyl] 3-(2H-1,3-Benzoxazol-3-Yl)Propane-1-Sulfonate; Sodium 2-(3-Ethyl-4-Oxo-2-Thioxo-Oxazolidin-5-Yl)Prop-1-Enyl 3-(2H-1,3-Benzoxazol-3-Yl)Propane-1-Sulfonate; Sodium [(E)-2-(3-Ethyl-4-Oxo-2-Thioxo-Oxazolidin-5-Yl)Prop-1-Enyl] 3-(2H-1,3-Benzoxazol-3-Yl)Propane-1-Sulfonate
• Molecular Formula: C₁₈H₂₂N₂NaO₆S₂
• Molecular Weight: 449.49
• CAS Registry Number: 80879-56-7
• EINECS: 279-610-6
• SMILES: C1=CC=CC2=C1N(CO2)CCC[S](O\C=C(C3OC(=S)N(C3=O)CC)/C)(=O)=O.[Na+]
• InChI: 1S/C18H22N2O6S2.Na/c1-3-20-17(21)16(26-18(20)27)13(2)11-25-28(22,23)10-6-9-19-12-24-15-8-5-4-7-14(15)19;/h4-5,7-8,11,16H,3,6,9-10,12H2,1-2H3;/q;+1/b13-11+
• InChIKey: DDFOTYBKUPJPRY-BNSHTTSQSA-N

Properties

• Boiling point: 578.4°C at 760 mmHg (Cal.)
• Flash point: 303.6°C (Cal.)