8-Hydroxy-17-Octadecene-9,11-Diynoic Acid Methyl Ester
[CAS# 6084-79-3]

Identification

• Name: 8-Hydroxy-17-Octadecene-9,11-Diynoic Acid Methyl Ester
• Synonyms: [3-[(Z)-(2-Amino-4-Oxo-Thiazol-5-Ylidene)Methyl]Phenyl] Naphthalene-2-Sulfonate; 2-Naphthalenesulfonic Acid [3-[(Z)-(2-Amino-4-Oxo-5-Thiazolylidene)Methyl]Phenyl] Ester; Naphthalene-2-Sulfonic Acid [3-[(Z)-(2-Amino-4-Keto-Thiazol-5-Ylidene)Methyl]Phenyl] Ester
• Molecular Formula: C₂₀H₁₄N₂O₄S₂
• Molecular Weight: 410.46
• CAS Registry Number: 6084-79-3
• SMILES: C3=C([S](OC1=CC(=CC=C1)/C=C/2SC(=NC2=O)N)(=O)=O)C=CC4=CC=CC=C34
• InChI: 1S/C20H14N2O4S2/c21-20-22-19(23)18(27-20)11-13-4-3-7-16(10-13)26-28(24,25)17-9-8-14-5-1-2-6-15(14)12-17/h1-12H,(H2,21,22,23)/b18-11-
• InChIKey: OHTQOYFOSDLEDB-WQRHYEAKSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 670.793°C at 760 mmHg (Cal.)
• Flash point: 359.483°C (Cal.)