[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-chloranyl-4,5-bis(fluoranyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-chloranyl-4,5-bis(fluoranyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-chloro-4,5-difluoro-benzoate CAS Name: 2-chloro-4,5-difluorobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate Traditional Name: 2-chloro-4,5-difluoro-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H19ClF2O3 MolecularWeight: 368.802166

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=C(C=C4Cl)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=C(C=C4Cl)F)F

InChI

InChI=1S/C19H19ClF2O3/c20-14-5-16(22)15(21)4-13(14)18(24)25-9-17(23)19-6-10-1-11(7-19)3-12(2-10)8-19/h4-5,10-12H,1-3,6-9H2