sodium 2-[(3Z)-6-fluoranyl-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]ethanoate

Systemtic Name: sodium 2-[(3Z)-6-fluoranyl-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]ethanoate Openeye Name: sodium 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]acetate CAS Name: sodium 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetate IUPAC Name: sodium 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]acetate Traditional Name: sodium 2-[(3Z)-6-fluoro-3-[mesyl(phenyl)methylene]-2-methyl-inden-1-yl]acetate Formula: C20H16FNaO4S MolecularWeight: 394.391813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FO4S.Na/c1-12-16(11-18(22)23)17-10-14(21)8-9-15(17)19(12)20(26(2,24)25)13-6-4-3-5-7-13;/h3-10H,11H2,1-2H3,(H,22,23);/q;+1/p-1/b20-19-;