Products 686773-12-6

CAS 686773-12-6 is the registry number for 2-(((2S,3R,4E,6E,10E,12S)-13-(4-Fluorophenoxy)-2,3,12-trihydroxy-4,6,10-tridecatrien-8-yn-1-yl)oxy)acetic acid sodium salt. Offered by: Biosynth. Available pack sizes: 1mg.

Structural formula: {0} (CAS {1})

Sodium 2-[(2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,10-trien-8-ynoxy]acetate (CAS 686773-12-6) is a chemical compound with the molecular formula C21H22FNaO7 and a molecular weight of 428.4 g/mol. IUPAC name: sodium 2-[(2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,10-trien-8-ynoxy]acetate. InChIKey: JEZLFWXSKCTMPN-ILCIQDJASA-M.

Identity
Molecular formulaC21H22FNaO7
Molecular weight428.4 g/mol
IUPAC namesodium 2-[(2S,3R,4E,6E,10E,12S)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,10-trien-8-ynoxy]acetate
InChIKeyJEZLFWXSKCTMPN-ILCIQDJASA-M
SMILESC1=CC(=CC=C1OC[C@H](/C=C/C#C/C=C/C=C/[C@H]([C@H](COCC(=O)[O-])O)O)O)F.[Na+]

Computed by PubChem (NCBI)