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

Systemtic Name: 3-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]propanoic acid Openeye Name: 3-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]propanoic acid CAS Name: 3-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]propanoic acid IUPAC Name: 3-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]propanoic acid Traditional Name: 3-[(3Z)-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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19FO4S/c1-13-17(9-10-21(23)24)20-12-15(22)5-8-18(20)19(13)11-14-3-6-16(7-4-14)27(2,25)26/h3-8,11-12H,9-10H2,1-2H3,(H,23,24)/b19-11-