(E)-7-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]-3-oxidanyl-5-oxidanylidene-hept-6-enoic acid

Systemtic Name: (E)-7-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]-3-oxidanyl-5-oxidanylidene-hept-6-enoic acid Openeye Name: (E)-7-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]-3-hydroxy-5-oxo-hept-6-enoic acid CAS Name: (E)-7-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]-3-hydroxy-5-oxo-6-heptenoic acid IUPAC Name: (E)-7-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]-3-hydroxy-5-oxohept-6-enoic acid Traditional Name: (E)-7-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]-3-hydroxy-5-keto-hept-6-enoic acid Formula: C22H23FO4 MolecularWeight: 370.414023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FO4/c1-13-8-14(2)19(6-5-17(24)11-18(25)12-22(26)27)20(9-13)16-4-7-21(23)15(3)10-16/h4-10,18,25H,11-12H2,1-3H3,(H,26,27)/b6-5+