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

Systemtic Name: (E)-7-[3-fluoranyl-2,4-dimethyl-6-(3-methylphenyl)phenyl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: (E)-7-[3-fluoro-2,4-dimethyl-6-(m-tolyl)phenyl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[3-fluoro-2,4-dimethyl-6-(3-methylphenyl)phenyl]-5-hydroxy-3-oxo-6-heptenoate IUPAC Name: (E)-7-[3-fluoro-2,4-dimethyl-6-(3-methylphenyl)phenyl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[3-fluoro-2,4-dimethyl-6-(m-tolyl)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=CC(=C1)C2=CC(=C(C(=C2C=CC(CC(=O)CC(=O)[O-])O)C)F)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23FO4/c1-13-5-4-6-16(9-13)20-10-14(2)22(23)15(3)19(20)8-7-17(24)11-18(25)12-21(26)27/h4-10,17,24H,11-12H2,1-3H3,(H,26,27)/p-1/b8-7+