4-(3,5,5-Trimethylhexanoyloxy)Benzenesulfonic Acid
[CAS# 102568-17-2]

Identification

• Name: 4-(3,5,5-Trimethylhexanoyloxy)Benzenesulfonic Acid
• Synonyms: 4-(3,5,5-Trimethyl-1-Oxohexoxy)Benzenesulfonic Acid; Hexanoic Acid, 3,5,5-Trimethyl-, 4-Sulfophenyl Ester; 3,5,5-Thbs
• Molecular Formula: C₁₅H₂₂O₅S
• Molecular Weight: 314.40
• CAS Registry Number: 102568-17-2
• SMILES: C1=C([S](O)(=O)=O)C=CC(=C1)OC(=O)CC(CC(C)(C)C)C
• InChI: 1S/C15H22O5S/c1-11(10-15(2,3)4)9-14(16)20-12-5-7-13(8-6-12)21(17,18)19/h5-8,11H,9-10H2,1-4H3,(H,17,18,19)
• InChIKey: YIMYUGFRPUNGOM-UHFFFAOYSA-N

Properties

• Density: 1.183g/cm³ (Cal.)