2-[(3E)-5-fluoranyl-6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3E)-5-fluoranyl-6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-5-fluoro-6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-5-fluoro-6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-5-fluoro-6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-5-fluoro-3-(4-mesylbenzylidene)-6-methoxy-2-methyl-inden-1-yl]acetic acid Formula: C21H19FO5S MolecularWeight: 402.435963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2C1=CC3=CC=C(C=C3)S(=O)(=O)C)F)OC)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19FO5S/c1-12-15(8-13-4-6-14(7-5-13)28(3,25)26)17-9-19(22)20(27-2)10-18(17)16(12)11-21(23)24/h4-10H,11H2,1-3H3,(H,23,24)/b15-8+