(E)-7-[2-(4-fluoranyl-3-methyl-phenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]-3-oxidanyl-5-oxidanylidene-hept-6-enoic acid

Systemtic Name: (E)-7-[2-(4-fluoranyl-3-methyl-phenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]-3-oxidanyl-5-oxidanylidene-hept-6-enoic acid Openeye Name: (E)-7-[2-(4-fluoro-3-methyl-phenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]-3-hydroxy-5-oxo-hept-6-enoic acid CAS Name: (E)-7-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexenyl]-3-hydroxy-5-oxo-6-heptenoic acid IUPAC Name: (E)-7-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethylcyclohexen-1-yl]-3-hydroxy-5-oxohept-6-enoic acid Traditional Name: (E)-7-[2-(4-fluoro-3-methyl-phenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]-3-hydroxy-5-keto-hept-6-enoic acid Formula: C24H31FO4 MolecularWeight: 402.498943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31FO4/c1-15-10-16(6-9-21(15)25)19-13-23(2,3)14-24(4,5)20(19)8-7-17(26)11-18(27)12-22(28)29/h6-10,18,27H,11-14H2,1-5H3,(H,28,29)/b8-7+