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

Systemtic Name: 4-[[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]methoxy-methyl-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]methoxy-methyl-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]methoxy-methylphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]methoxy-methylphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-benzyl]oxy-methyl-phosphoryl]-3-hydroxy-butyric acid Formula: C21H26FO5P MolecularWeight: 408.400304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)COP(=O)(C)CC(CC(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)COP(=O)(C)CC(CC(=O)O)O)C

InChI

InChI=1S/C21H26FO5P/c1-13-7-14(2)19(11-27-28(4,26)12-17(23)10-21(24)25)18(8-13)16-5-6-20(22)15(3)9-16/h5-9,17,23H,10-12H2,1-4H3,(H,24,25)