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

Systemtic Name: 2-[(3E)-6-fluoranyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-6-fluoro-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-6-fluoro-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-6-fluoro-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-6-fluoro-3-(4-mesylbenzylidene)inden-1-yl]acetic acid Formula: C19H15FO4S MolecularWeight: 358.383403

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C=C2C=C(C3=C2C=CC(=C3)F)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C=C/2\C=C(C3=C2C=CC(=C3)F)CC(=O)O

InChI

InChI=1S/C19H15FO4S/c1-25(23,24)16-5-2-12(3-6-16)8-13-9-14(10-19(21)22)18-11-15(20)4-7-17(13)18/h2-9,11H,10H2,1H3,(H,21,22)/b13-8+