2-[(E)-2-(4-Acetamido-2-Sulfophenyl)Ethenyl]-5-(2,5-Dioxopyrrol-1-Yl)Benzenesulfonic Acid
[CAS# 118121-38-3]

Identification

• Name: 2-[(E)-2-(4-Acetamido-2-Sulfophenyl)Ethenyl]-5-(2,5-Dioxopyrrol-1-Yl)Benzenesulfonic Acid
• Synonyms: 2-[(E)-2-(4-Acetamido-2-Sulfo-Phenyl)Vinyl]-5-(2,5-Dioxopyrrol-1-Yl)Benzenesulfonic Acid; 2-[(E)-2-(4-Acetamido-2-Sulfophenyl)Vinyl]-5-(2,5-Dioxo-1-Pyrrolyl)Benzenesulfonic Acid; 2-[(E)-2-(4-Acetamido-2-Sulfo-Phenyl)Vinyl]-5-Maleimido-Benzenesulfonic Acid
• Molecular Formula: C₂₀H₁₆N₂O₉S₂
• Molecular Weight: 492.47
• CAS Registry Number: 118121-38-3
• SMILES: C1=C([S](=O)(=O)O)C(=CC=C1N2C(=O)C=CC2=O)\C=C\C3=CC=C(NC(=O)C)C=C3[S](=O)(=O)O
• InChI: 1S/C20H16N2O9S2/c1-12(23)21-15-6-4-13(17(10-15)32(26,27)28)2-3-14-5-7-16(11-18(14)33(29,30)31)22-19(24)8-9-20(22)25/h2-11H,1H3,(H,21,23)(H,26,27,28)(H,29,30,31)/b3-2+
• InChIKey: VVMKDNFTYDHDJS-NSCUHMNNSA-N

Properties

• Density: 1.686g/cm³ (Cal.)