4-Acetamido-4'-Isothiocyanatostilbene-2,2'-Disulfonic Acid
[CAS# 27816-59-7]

Identification

• Name: 4-Acetamido-4'-Isothiocyanatostilbene-2,2'-Disulfonic Acid
• Synonyms: 5-Acetamido-2-[(E)-2-(4-Isothiocyanato-2-Sulfophenyl)Ethenyl]Benzenesulfonic Acid; 5-Acetamido-2-[(E)-2-(4-Isothiocyanato-2-Sulfo-Phenyl)Vinyl]Benzenesulfonic Acid; 5-Acetamido-2-[2-(4-Isothiocyanato-2-Sulfo-Phenyl)Vinyl]Benzenesulfonic Acid
• Molecular Formula: C₁₇H₁₄N₂O₇S₃
• Molecular Weight: 454.49
• CAS Registry Number: 27816-59-7
• SMILES: S=C=NC2=CC(=C(/C=C/C1=C([S](=O)(=O)O)C=C(NC(=O)C)C=C1)C=C2)[S](=O)(=O)O
• InChI: 1S/C17H14N2O7S3/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/b3-2+
• InChIKey: YJCCSLGGODRWKK-NSCUHMNNSA-N

Properties

• Density: 1.521g/cm³ (Cal.)