[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H22F2O5S MolecularWeight: 412.447486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F2O5S/c21-19(22)28(25,26)16-3-1-15(2-4-16)18(24)27-11-17(23)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14,19H,5-11H2