[(2S)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2,4-bis(fluoranyl)benzoate

Systemtic Name: [(2S)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2,4-bis(fluoranyl)benzoate Openeye Name: [(1S)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2,4-difluorobenzoate CAS Name: 2,4-difluorobenzoic acid [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] 2,4-difluorobenzoate Traditional Name: 2,4-difluorobenzoic acid [(1S)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C20H22F2O3 MolecularWeight: 348.383686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C[C@@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C20H22F2O3/c1-11(25-19(24)16-3-2-15(21)7-17(16)22)18(23)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,11-14H,4-6,8-10H2,1H3/t11-,12?,13?,14?,20?/m0/s1