5-(Benzoylamino)-2-[(E)-2-(4-Isothiocyanato-2-Sulfophenyl)Ethenyl]Benzenesulfonic Acid
[CAS# 78543-24-5]

Identification

• Name: 5-(Benzoylamino)-2-[(E)-2-(4-Isothiocyanato-2-Sulfophenyl)Ethenyl]Benzenesulfonic Acid
• Synonyms: 5-(Benzoylamino)-2-[(E)-2-(4-Isothiocyanato-2-Sulfo-Phenyl)Vinyl]Benzenesulfonic Acid; 2-[(E)-2-(4-Isothiocyanato-2-Sulfophenyl)Vinyl]-5-[(Oxo-Phenylmethyl)Amino]Benzenesulfonic Acid; 2-[(E)-2-(4-Isothiocyanato-2-Sulfo-Phenyl)Ethenyl]-5-(Phenylcarbonylamino)Benzenesulfonic Acid
• Molecular Formula: C₂₂H₁₆N₂O₇S₃
• Molecular Weight: 516.56
• CAS Registry Number: 78543-24-5
• SMILES: S=C=NC1=CC=C(C(=C1)[S](=O)(=O)O)/C=C/C3=CC=C(NC(=O)C2=CC=CC=C2)C=C3[S](=O)(=O)O
• InChI: 1S/C22H16N2O7S3/c25-22(17-4-2-1-3-5-17)24-19-11-9-16(21(13-19)34(29,30)31)7-6-15-8-10-18(23-14-32)12-20(15)33(26,27)28/h1-13H,(H,24,25)(H,26,27,28)(H,29,30,31)/b7-6+
• InChIKey: QOTXRSSBQIHQPW-VOTSOKGWSA-N

Properties

• Density: 1.47g/cm³ (Cal.)