Fosfestrolsodium
[CAS# 5965-09-3]

Identification

• Name: Fosfestrolsodium
• Synonyms: Disodium [4-[(Z)-1-Ethyl-2-[4-(Hydroxy-Oxido-Phosphoryl)Oxyphenyl]But-1-Enyl]Phenyl] Hydrogen Phosphate; Disodium [4-[(Z)-1-Ethyl-2-[4-(Hydroxy-Oxidophosphoryl)Oxyphenyl]But-1-Enyl]Phenyl] Hydrogen Phosphate; Disodium [4-[(Z)-4-[4-(Hydroxy-Oxido-Phosphoryl)Oxyphenyl]Hex-3-En-3-Yl]Phenyl] Hydrogen Phosphate
• Molecular Formula: C₁₈H₂₀Na₂O₈P₂
• Molecular Weight: 472.28
• CAS Registry Number: 5965-09-3
• EINECS: 227-746-1
• SMILES: C2=C(C(=C(C1=CC=C(O[P]([O-])(=O)O)C=C1)/CC)/CC)C=CC(=C2)O[P]([O-])(=O)O.[Na+].[Na+]
• InChI: 1S/C18H22O8P2.2Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;;/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);;/q;2*+1/p-2/b18-17-
• InChIKey: OPZDSBAHQHNXRQ-NSGFTINJSA-L

Properties

• Boiling point: 648.7°C at 760 mmHg (Cal.)
• Flash point: 346.1°C (Cal.)