2-[6-fluoranyl-2-methyl-4-[2-(4-methylsulfinylphenyl)ethynyl]-3H-inden-1-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-2-methyl-4-[2-(4-methylsulfinylphenyl)ethynyl]-3H-inden-1-yl]ethanoic acid Openeye Name: 2-[6-fluoro-2-methyl-4-[2-(4-methylsulfinylphenyl)ethynyl]-3H-inden-1-yl]acetic acid CAS Name: 2-[6-fluoro-2-methyl-4-[2-(4-methylsulfinylphenyl)ethynyl]-3H-inden-1-yl]acetic acid IUPAC Name: 2-[6-fluoro-2-methyl-4-[2-(4-methylsulfinylphenyl)ethynyl]-3H-inden-1-yl]acetic acid Traditional Name: 2-[6-fluoro-2-methyl-4-[2-(4-methylsulfinylphenyl)ethynyl]-3H-inden-1-yl]acetic acid Formula: C21H17FO3S MolecularWeight: 368.421283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1)C(=CC(=C2)F)C#CC3=CC=C(C=C3)S(=O)C)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(C1)C(=CC(=C2)F)C#CC3=CC=C(C=C3)S(=O)C)CC(=O)O

InChI

InChI=1S/C21H17FO3S/c1-13-9-19-15(6-3-14-4-7-17(8-5-14)26(2)25)10-16(22)11-20(19)18(13)12-21(23)24/h4-5,7-8,10-11H,9,12H2,1-2H3,(H,23,24)