sodium (E)-8-[bis(4-fluoranyl-3-methyl-phenyl)methylidene]-9-methyl-3,5-bis(oxidanyl)dec-6-enoate

Systemtic Name: sodium (E)-8-[bis(4-fluoranyl-3-methyl-phenyl)methylidene]-9-methyl-3,5-bis(oxidanyl)dec-6-enoate Openeye Name: sodium (E)-8-[bis(4-fluoro-3-methyl-phenyl)methylene]-3,5-dihydroxy-9-methyl-dec-6-enoate CAS Name: sodium (E)-8-[bis(4-fluoro-3-methylphenyl)methylidene]-3,5-dihydroxy-9-methyl-6-decenoate IUPAC Name: sodium (E)-8-[bis(4-fluoro-3-methylphenyl)methylidene]-3,5-dihydroxy-9-methyldec-6-enoate Traditional Name: sodium (6E)-9,9-bis(4-fluoro-3-methyl-phenyl)-3,5-dihydroxy-8-isopropyl-nona-6,8-dienoate Formula: C26H29F2NaO4 MolecularWeight: 466.492636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C(C=CC(CC(CC(=O)[O-])O)O)C(C)C)C2=CC(=C(C=C2)F)C)F.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C(/C=C/C(CC(CC(=O)[O-])O)O)C(C)C)C2=CC(=C(C=C2)F)C)F.[Na+]

InChI

InChI=1S/C26H30F2O4.Na/c1-15(2)22(8-7-20(29)13-21(30)14-25(31)32)26(18-5-9-23(27)16(3)11-18)19-6-10-24(28)17(4)12-19;/h5-12,15,20-21,29-30H,13-14H2,1-4H3,(H,31,32);/q;+1/p-1/b8-7+;