2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]propanoic acid

Systemtic Name: 2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]propanoic acid Openeye Name: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]propanoic acid CAS Name: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]propanoic acid IUPAC Name: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]propanoic acid Traditional Name: 2-[(3E)-6-fluoro-3-(4-mesylbenzylidene)-2-methyl-inden-1-yl]propionic acid Formula: C21H19FO4S MolecularWeight: 386.436563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)C(C)C(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)C(C)C(=O)O

InChI

InChI=1S/C21H19FO4S/c1-12-18(10-14-4-7-16(8-5-14)27(3,25)26)17-9-6-15(22)11-19(17)20(12)13(2)21(23)24/h4-11,13H,1-3H3,(H,23,24)/b18-10+