Benzo(a)Pyrenyl-3-Sulphate
[CAS# 61996-71-2]

Identification

• Name: Benzo(a)Pyrenyl-3-Sulphate
• Synonyms: 3-Benzo[H]Pyrenyl Hydrogen Sulfate; Benzo(A)Pyrene-3-Sulfate; Benzo(A)Pyrenyl-3-Sulfate
• Molecular Formula: C₂₀H₁₂O₄S
• Molecular Weight: 348.37
• CAS Registry Number: 61996-71-2
• SMILES: C4=C2C=CC1=C3C(=CC=C1O[S](=O)(=O)O)C=CC(=C23)C5=CC=CC=C45
• InChI: 1S/C20H12O4S/c21-25(22,23)24-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11H,(H,21,22,23)
• InChIKey: UDBRORAOPVVTME-UHFFFAOYSA-N

Properties

• Density: 1.568g/cm³ (Cal.)