6-Iodoestra-1,3,5(10),6-Tetraene-3,17 beta-Diol
[CAS# 71696-92-9]

Identification

• Name: 6-Iodoestra-1,3,5(10),6-Tetraene-3,17 beta-Diol
• Synonyms: 6-Iodo-1,3,5(10),6-Tetraene-3,17Beta-Diol; Estra-1,3,5(10),6-Tetraene-3,17-Diol, 6-Iodo-, (17Beta)-
• Molecular Formula: C₁₈H₂₁IO₂
• Molecular Weight: 396.27
• CAS Registry Number: 71696-92-9
• SMILES: [C@@H]23C=C(C1=C(C=CC(=C1)O)[C@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)I
• InChI: 1S/C18H21IO2/c1-18-7-6-12-11-3-2-10(20)8-14(11)16(19)9-13(12)15(18)4-5-17(18)21/h2-3,8-9,12-13,15,17,20-21H,4-7H2,1H3/t12-,13-,15+,17+,18+/m1/s1
• InChIKey: FMNWCCVGPNFPDR-YVEZLPLXSA-N

Properties

• Density: 1.649g/cm³ (Cal.)
• Boiling point: 520.283°C at 760 mmHg (Cal.)
• Flash point: 268.458°C (Cal.)