8-(Carboxyoxy)-2-Ethyl-3,4-Dihydro-2H-Chromen-3-Yl Benzenesulfonate
[CAS# 104536-64-3]

Identification

• Name: 8-(Carboxyoxy)-2-Ethyl-3,4-Dihydro-2H-Chromen-3-Yl Benzenesulfonate
• Synonyms: (8-carboxyoxy-2-ethyl-3,4-dihydro-2H-chromen-3-yl) benzenesulfonate; 2H-1-Benzopyran-3,8-diol, 2-ethyl-3,4-dihydro-, 3-benzenesulfonate 8-(hydrogen carbonate)
• Molecular Formula: C₁₈H₁₈O₇S
• Molecular Weight: 378.40
• CAS Registry Number: 104536-64-3
• SMILES: CCC1C(Cc2cccc(c2O1)OC(=O)O)OS(=O)(=O)c3ccccc3
• InChI: 1S/C18H18O7S/c1-2-14-16(25-26(21,22)13-8-4-3-5-9-13)11-12-7-6-10-15(17(12)23-14)24-18(19)20/h3-10,14,16H,2,11H2,1H3,(H,19,20)
• InChIKey: CEDREJKWCVPYLM-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 571.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 299.5±32.9°C (Cal.)
• Refractive index: 1.627 (Cal.)