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

Systemtic Name: (E)-7-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: (E)-7-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]-5-hydroxy-3-oxo-6-heptenoate IUPAC Name: (E)-7-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]-5-hydroxy-3-keto-hept-6-enoate Formula: C22H22FO4- MolecularWeight: 369.406083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)C=CC(CC(=O)CC(=O)[O-])O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)/C=C/C(CC(=O)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/h4-10,17,24H,11-12H2,1-3H3,(H,26,27)/p-1/b6-5+