sodium 2-(1-adamantylmethoxy)-1,1-bis(fluoranyl)-2-oxidanylidene-ethanesulfinate

Systemtic Name: sodium 2-(1-adamantylmethoxy)-1,1-bis(fluoranyl)-2-oxidanylidene-ethanesulfinate Openeye Name: sodium 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxo-ethanesulfinate CAS Name: sodium 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfinate IUPAC Name: sodium 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfinate Traditional Name: sodium 2-(1-adamantylmethoxy)-1,1-difluoro-2-keto-ethanesulfinate Formula: C13H17F2NaO4S MolecularWeight: 330.323256

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C(F)(F)S(=O)[O-].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C(F)(F)S(=O)[O-].[Na+]

InChI

InChI=1S/C13H18F2O4S.Na/c14-13(15,20(17)18)11(16)19-7-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7H2,(H,17,18);/q;+1/p-1