[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-(difluoromethoxy)-3-methoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-methoxybenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C22H26F2O5 MolecularWeight: 408.435646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26F2O5/c1-12(19(25)22-9-13-5-14(10-22)7-15(6-13)11-22)28-20(26)16-3-4-17(29-21(23)24)18(8-16)27-2/h3-4,8,12-15,21H,5-7,9-11H2,1-2H3