2-[(3Z)-5-fluoranyl-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3Z)-5-fluoranyl-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3Z)-5-fluoro-3-[mesyl(phenyl)methylene]-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=C(C3=CC=CC=C3)S(=O)(=O)C)F)OC)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19FO5S/c1-12-14(11-19(23)24)15-10-18(27-2)17(22)9-16(15)20(12)21(28(3,25)26)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,23,24)/b21-20-