Sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-hydroxy-3-methylbutanoate
[CAS# 91541-81-0]

Identification

• Name: Sodium 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]-4-hydroxy-3-methylbutanoate
• Synonyms: Sodium 4-[4-[3-(4-Acetyl-3-Hydroxy-2-Propyl-Phenoxy)Propylsulfanyl]Phenyl]-4-Hydroxy-3-Methyl-Butanoate; Sodium 4-[4-[3-(4-Acetyl-3-Hydroxy-2-Propylphenoxy)Propylthio]Phenyl]-4-Hydroxy-3-Methylbutanoate; Sodium 4-[4-[3-(4-Acetyl-3-Hydroxy-2-Propyl-Phenoxy)P
• Molecular Formula: C₂₅H₃₁NaO₆S
• Molecular Weight: 482.57
• CAS Registry Number: 91541-81-0
• SMILES: C1=C(C(=C(C(=C1)OCCCSC2=CC=C(C(O)C(CC([O-])=O)C)C=C2)CCC)O)C(=O)C.[Na+]
• InChI: 1S/C25H32O6S.Na/c1-4-6-21-22(12-11-20(17(3)26)25(21)30)31-13-5-14-32-19-9-7-18(8-10-19)24(29)16(2)15-23(27)28;/h7-12,16,24,29-30H,4-6,13-15H2,1-3H3,(H,27,28);/q;+1/p-1
• InChIKey: HYMFDMFIXDCBBD-UHFFFAOYSA-M

Properties

• Boiling point: 682.4°C at 760 mmHg (Cal.)
• Flash point: 366.5°C (Cal.)