1,3,6-Trisulfonylpyrene 8-Isothiocyanate
[CAS# 58226-67-8]

Identification

• Name: 1,3,6-Trisulfonylpyrene 8-Isothiocyanate
• Synonyms: 1,3,6-Pyrenetrisulfonic Acid, 8-Isothiocyanato-; 1,3,6-Trisulfonylpyrene 8-Isothiocyanate; 1,3,6-Tspi
• Molecular Formula: C₁₇H₉NO₉S₄
• Molecular Weight: 499.50
• CAS Registry Number: 58226-67-8
• SMILES: S=C=NC1=CC(=C4C2=C1C=CC3=C2C(=C(C=C3[S](=O)(=O)O)[S](=O)(=O)O)C=C4)[S](=O)(=O)O
• InChI: 1S/C17H9NO9S4/c19-29(20,21)13-5-12(18-7-28)8-1-2-10-14(30(22,23)24)6-15(31(25,26)27)11-4-3-9(13)16(8)17(10)11/h1-6H,(H,19,20,21)(H,22,23,24)(H,25,26,27)
• InChIKey: HVTTVIRJVMCXFL-UHFFFAOYSA-N

Properties

• Density: 1.935g/cm³ (Cal.)