[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[bis(fluoranyl)methoxy]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[bis(fluoranyl)methoxy]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(difluoromethoxy)benzoate CAS Name: 3-(difluoromethoxy)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(difluoromethoxy)benzoate Traditional Name: 3-(difluoromethoxy)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H22F2O4 MolecularWeight: 364.383086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F2O4/c21-19(22)26-16-3-1-2-15(7-16)18(24)25-11-17(23)20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,12-14,19H,4-6,8-11H2