(E)-7-[3-[(4-Iodophenyl)Sulfonylamino]-7,7-Dimethyl-2-Bicyclo[3.1.1]Heptanyl]Hept-5-Enoic Acid
[CAS# 133538-58-6]

Identification

• Name: (E)-7-[3-[(4-Iodophenyl)Sulfonylamino]-7,7-Dimethyl-2-Bicyclo[3.1.1]Heptanyl]Hept-5-Enoic Acid
• Synonyms: (E)-7-[3-[(4-Iodophenyl)Sulfonylamino]-6,6-Dimethyl-Norpinan-2-Yl]Hept-5-Enoic Acid; (E)-7-[3-[(4-Iodophenyl)Sulfonylamino]-6,6-Dimethyl-2-Norpinanyl]Hept-5-Enoic Acid; 5-Heptenoic Acid, 7-(3-(((4-Iodophenyl)Sulfonyl)Amino)-6,6-Dimethylbicyclo(3.1.1)Hept-2-Yl)-, (Is-(1Alpha,2Beta(Z),3Alpha,5Alpha))-
• Molecular Formula: C₂₂H₃₀INO₄S
• Molecular Weight: 531.45
• CAS Registry Number: 133538-58-6
• SMILES: C3=C([S](=O)(=O)NC2C(C1C(C(C1)C2)(C)C)C\C=C\CCCC(=O)O)C=CC(=C3)I
• InChI: 1S/C22H30INO4S/c1-22(2)15-13-19(22)18(7-5-3-4-6-8-21(25)26)20(14-15)24-29(27,28)17-11-9-16(23)10-12-17/h3,5,9-12,15,18-20,24H,4,6-8,13-14H2,1-2H3,(H,25,26)/b5-3+
• InChIKey: SZNMERGTFJHNSM-HWKANZROSA-N

Properties

• Density: 1.516g/cm³ (Cal.)
• Boiling point: 606.328°C at 760 mmHg (Cal.)
• Flash point: 320.496°C (Cal.)