3-fluoranyl-4-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxy-benzoate

Systemtic Name: 3-fluoranyl-4-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxy-benzoate Openeye Name: 3-fluoro-4-[(1S,5R)-3,3,5-trimethylcyclohexoxy]benzoate CAS Name: 3-fluoro-4-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxybenzoate IUPAC Name: 3-fluoro-4-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxybenzoate Traditional Name: 3-fluoro-4-[(1S,5R)-3,3,5-trimethylcyclohexoxy]benzoate Formula: C16H20FO3- MolecularWeight: 279.326603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC2=C(C=C(C=C2)C(=O)[O-])F

Isomeric SMILES

C[C@H]1C[C@@H](CC(C1)(C)C)OC2=C(C=C(C=C2)C(=O)[O-])F

InChI

InChI=1S/C16H21FO3/c1-10-6-12(9-16(2,3)8-10)20-14-5-4-11(15(18)19)7-13(14)17/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,18,19)/p-1/t10-,12-/m0/s1