tert-butyl (1R,2S,6R)-6-butyl-1-fluoranyl-2-oxidanyl-4-oxidanylidene-2-[(E)-2-phenylethenyl]cyclohexane-1-carboxylate

Systemtic Name: tert-butyl (1R,2S,6R)-6-butyl-1-fluoranyl-2-oxidanyl-4-oxidanylidene-2-[(E)-2-phenylethenyl]cyclohexane-1-carboxylate Openeye Name: tert-butyl (1R,2S,6R)-6-butyl-1-fluoro-2-hydroxy-4-oxo-2-[(E)-styryl]cyclohexanecarboxylate CAS Name: (1R,2S,6R)-6-butyl-1-fluoro-2-hydroxy-4-oxo-2-[(E)-2-phenylethenyl]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2S,6R)-6-butyl-1-fluoro-2-hydroxy-4-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S,6R)-6-butyl-1-fluoro-2-hydroxy-4-keto-2-[(E)-styryl]cyclohexanecarboxylic acid tert-butyl ester Formula: C23H31FO4 MolecularWeight: 390.488243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=O)CC(C1(C(=O)OC(C)(C)C)F)(C=CC2=CC=CC=C2)O

Isomeric SMILES

CCCC[C@@H]1CC(=O)C[C@@]([C@]1(C(=O)OC(C)(C)C)F)(/C=C/C2=CC=CC=C2)O

InChI

InChI=1S/C23H31FO4/c1-5-6-12-18-15-19(25)16-22(27,14-13-17-10-8-7-9-11-17)23(18,24)20(26)28-21(2,3)4/h7-11,13-14,18,27H,5-6,12,15-16H2,1-4H3/b14-13+/t18-,22-,23+/m1/s1