1,2,3,4-Tetrahydro-4-[2-[[1-Carboxy-3-(Methylsulfinyl)Propyl]Imino]Ethylidene]Pyridine-2,6-Dicarboxylic Acid
[CAS# 5296-79-7]

Identification

• Name: 1,2,3,4-Tetrahydro-4-[2-[[1-Carboxy-3-(Methylsulfinyl)Propyl]Imino]Ethylidene]Pyridine-2,6-Dicarboxylic Acid
• Synonyms: 4-[(E)-2-[(1-Hydroxy-4-Methylsulfinyl-1-Oxobutan-2-Yl)Amino]Ethenyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid; 4-[2-[(1-Carboxy-3-Methylsulfinyl-Propyl)Amino]Vinyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid; 4-[(E)-2-[(1-Carboxy-3-Methylsulfinyl-Propyl)Amino]Vinyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid
• Molecular Formula: C₁₄H₁₈N₂O₇S
• Molecular Weight: 358.37
• CAS Registry Number: 5296-79-7
• SMILES: C(C(N/C=C/C1=CC(=NC(C1)C(O)=O)C(O)=O)C(O)=O)C[S](=O)C
• InChI: 1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,15H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b4-2+
• InChIKey: PGXCYTPRVAQFES-DUXPYHPUSA-N

Properties

• Density: 1.552g/cm³ (Cal.)
• Boiling point: 776.188°C at 760 mmHg (Cal.)
• Flash point: 423.224°C (Cal.)