[4-[4-(4-Sulfooxyphenyl)Hex-3-En-3-Yl]Phenyl] Hydrogen Sulfate
[CAS# 316-23-4]

Identification

• Name: [4-[4-(4-Sulfooxyphenyl)Hex-3-En-3-Yl]Phenyl] Hydrogen Sulfate
• Synonyms: [4-[(E)-4-(4-Sulfooxyphenyl)Hex-3-En-3-Yl]Phenyl] Hydrogen Sulfate; [4-[(E)-1-Ethyl-2-(4-Sulfooxyphenyl)But-1-Enyl]Phenyl] Hydrogen Sulfate; [4-[1-Ethyl-2-(4-Sulfooxyphenyl)But-1-Enyl]Phenyl] Hydrogen Sulfate
• Molecular Formula: C₁₈H₂₀O₈S₂
• Molecular Weight: 428.47
• CAS Registry Number: 316-23-4
• EINECS: 206-257-7
• SMILES: C1=CC(=CC=C1C(=C(/CC)C2=CC=C(C=C2)O[S](O)(=O)=O)\CC)O[S](O)(=O)=O
• InChI: 1S/C18H20O8S2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H,19,20,21)(H,22,23,24)/b18-17+
• InChIKey: JQFXYBUUBRTZSR-ISLYRVAYSA-N

Properties

• Density: 1.441g/cm³ (Cal.)