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

Systemtic Name: 2-[(3E)-6-fluoranyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]propanoate Openeye Name: 2-[(3E)-6-fluoro-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]propanoate CAS Name: 2-[(3E)-6-fluoro-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]propanoate IUPAC Name: 2-[(3E)-6-fluoro-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]propanoate Traditional Name: 2-[(3E)-6-fluoro-3-(4-mesylbenzylidene)inden-1-yl]propionate Formula: C20H16FO4S- MolecularWeight: 371.402043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC2=CC=C(C=C2)S(=O)(=O)C)C3=C1C=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

CC(C1=C/C(=C\C2=CC=C(C=C2)S(=O)(=O)C)/C3=C1C=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C20H17FO4S/c1-12(20(22)23)18-10-14(17-8-5-15(21)11-19(17)18)9-13-3-6-16(7-4-13)26(2,24)25/h3-12H,1-2H3,(H,22,23)/p-1/b14-9+