3-[[6-[(E)-3-Hydroxy-3-Oxoprop-1-Enyl]-5-[8-(4-Methoxyphenyl)Octoxy]Pyridin-2-Yl]Methylsulfanylmethyl]Benzoic Acid
[CAS# 150399-22-7]

Identification

• Name: 3-[[6-[(E)-3-Hydroxy-3-Oxoprop-1-Enyl]-5-[8-(4-Methoxyphenyl)Octoxy]Pyridin-2-Yl]Methylsulfanylmethyl]Benzoic Acid
• Synonyms: 3-[[6-[(E)-3-Hydroxy-3-Oxo-Prop-1-Enyl]-5-[8-(4-Methoxyphenyl)Octoxy]-2-Pyridyl]Methylsulfanylmethyl]Benzoic Acid; 3-[[[6-[(E)-3-Hydroxy-3-Oxoprop-1-Enyl]-5-[8-(4-Methoxyphenyl)Octoxy]-2-Pyridyl]Methylthio]Methyl]Benzoic Acid; 3-[[[6-[(E)-3-Hydroxy-3-Keto-Prop-1-Enyl]-5-[8-(4-Methoxyphenyl)Octoxy]-2-Pyridyl]Methylthio]Methyl]Benzoic Acid
• Molecular Formula: C₃₂H₃₇NO₆S
• Molecular Weight: 563.71
• CAS Registry Number: 150399-22-7
• SMILES: C1=CC(=NC(=C1OCCCCCCCCC2=CC=C(OC)C=C2)\C=C\C(=O)O)CSCC3=CC(=CC=C3)C(=O)O
• InChI: 1S/C32H37NO6S/c1-38-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-39-30-18-14-27(33-29(30)17-19-31(34)35)23-40-22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+
• InChIKey: QQUXZUFSDIOIFJ-HTXNQAPBSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 759°C at 760 mmHg (Cal.)
• Flash point: 412.8°C (Cal.)