sodium 2-[(3E)-6-fluoranyl-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanoate

Systemtic Name: sodium 2-[(3E)-6-fluoranyl-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanoate Openeye Name: sodium 2-[(3E)-6-fluoro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylene]inden-1-yl]acetate CAS Name: sodium 2-[(3E)-6-fluoro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1-indenyl]acetate IUPAC Name: sodium 2-[(3E)-6-fluoro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate Traditional Name: sodium 2-[(3E)-6-fluoro-2-methyl-3-(3,4,5-trimethoxybenzylidene)inden-1-yl]acetate Formula: C22H20FNaO5 MolecularWeight: 406.379373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC(=C(C(=C3)OC)OC)OC)C=CC(=C2)F)CC(=O)[O-].[Na+]

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC(=C(C(=C3)OC)OC)OC)C=CC(=C2)F)CC(=O)[O-].[Na+]

InChI

InChI=1S/C22H21FO5.Na/c1-12-16(7-13-8-19(26-2)22(28-4)20(9-13)27-3)15-6-5-14(23)10-18(15)17(12)11-21(24)25;/h5-10H,11H2,1-4H3,(H,24,25);/q;+1/p-1/b16-7+;