7-(3-Iodo-4-Hydroxyphenylsulfonylamino(2.2.1)-Bicyclohept-2-Yl)Heptenoic Acid
[CAS# 130940-73-7]

Identification

• Name: 7-(3-Iodo-4-Hydroxyphenylsulfonylamino(2.2.1)-Bicyclohept-2-Yl)Heptenoic Acid
• Synonyms: I-S-145-Oh
• Molecular Formula: C₂₀H₂₆INO₅S
• Molecular Weight: 519.39
• CAS Registry Number: 130940-73-7
• SMILES: [125I]C1=C(O)C=CC(=C1)[S](=O)(=O)N[C@@H]2[C@@H]3C[C@H]([C@H]2C\C=C/CCCC(=O)O)CC3
• InChI: 1S/C20H26INO5S/c21-17-12-15(9-10-18(17)23)28(26,27)22-20-14-8-7-13(11-14)16(20)5-3-1-2-4-6-19(24)25/h1,3,9-10,12-14,16,20,22-23H,2,4-8,11H2,(H,24,25)/b3-1-/t13-,14+,16-,20-/m1/s1/i21-2
• InChIKey: RILIUTBHQHCVMM-AULLTFLWSA-N

Properties

• Density: 1.65g/cm³ (Cal.)