4-[2-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethynylsulfonyl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethynylsulfonyl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethynylsulfonyl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethynylsulfonyl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethynylsulfonyl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethynylsulfonyl]-3-hydroxy-butyric acid Formula: C21H21FO5S MolecularWeight: 404.451843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)C#CS(=O)(=O)CC(CC(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)C#CS(=O)(=O)CC(CC(=O)O)O)C

InChI

InChI=1S/C21H21FO5S/c1-13-8-14(2)18(6-7-28(26,27)12-17(23)11-21(24)25)19(9-13)16-4-5-20(22)15(3)10-16/h4-5,8-10,17,23H,11-12H2,1-3H3,(H,24,25)