(Z)-3-[4-[[3-fluoranyl-5-(3-oxidanylpentan-3-yl)phenoxy]methyl]-2-oxidanyl-phenyl]-3-(furan-3-yl)prop-2-enoic acid; sodium

Systemtic Name: (Z)-3-[4-[[3-fluoranyl-5-(3-oxidanylpentan-3-yl)phenoxy]methyl]-2-oxidanyl-phenyl]-3-(furan-3-yl)prop-2-enoic acid; sodium Openeye Name: (Z)-3-[4-[[3-(1-ethyl-1-hydroxy-propyl)-5-fluoro-phenoxy]methyl]-2-hydroxy-phenyl]-3-(3-furyl)prop-2-enoic acid; sodium CAS Name: (Z)-3-[4-[[3-fluoro-5-(3-hydroxypentan-3-yl)phenoxy]methyl]-2-hydroxyphenyl]-3-(3-furanyl)-2-propenoic acid; sodium IUPAC Name: (Z)-3-[4-[[3-fluoro-5-(3-hydroxypentan-3-yl)phenoxy]methyl]-2-hydroxyphenyl]-3-(furan-3-yl)prop-2-enoic acid; sodium Traditional Name: (Z)-3-[4-[[3-(1-ethyl-1-hydroxy-propyl)-5-fluoro-phenoxy]methyl]-2-hydroxy-phenyl]-3-(3-furyl)acrylic acid; sodium Formula: C25H25FNa2O6 MolecularWeight: 486.440343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=CC(=C1)F)OCC2=CC(=C(C=C2)C(=CC(=O)O)C3=COC=C3)O)O.[Na].[Na]

Isomeric SMILES

CCC(CC)(C1=CC(=CC(=C1)F)OCC2=CC(=C(C=C2)/C(=C\C(=O)O)/C3=COC=C3)O)O.[Na].[Na]

InChI

InChI=1S/C25H25FO6.2Na/c1-3-25(30,4-2)18-10-19(26)12-20(11-18)32-14-16-5-6-21(23(27)9-16)22(13-24(28)29)17-7-8-31-15-17;;/h5-13,15,27,30H,3-4,14H2,1-2H3,(H,28,29);;/b22-13-;;