1-[3,5-bis(oxidanyl)-1-adamantyl]-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one

Systemtic Name: 1-[3,5-bis(oxidanyl)-1-adamantyl]-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one Openeye Name: 1-(3,5-dihydroxy-1-adamantyl)-2-methyl-2-tetrahydrothiophen-1-ium-1-yl-propan-1-one CAS Name: 1-(3,5-dihydroxy-1-adamantyl)-2-methyl-2-(1-thiolan-1-iumyl)-1-propanone IUPAC Name: 1-(3,5-dihydroxy-1-adamantyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one Traditional Name: 1-(3,5-dihydroxy-1-adamantyl)-2-methyl-2-tetrahydrothiophen-1-ium-1-yl-propan-1-one Formula: C18H29O3S+ MolecularWeight: 325.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C12CC3CC(C1)(CC(C3)(C2)O)O)[S+]4CCCC4

Isomeric SMILES

CC(C)(C(=O)C12CC3CC(C1)(CC(C3)(C2)O)O)[S+]4CCCC4

InChI

InChI=1S/C18H29O3S/c1-15(2,22-5-3-4-6-22)14(19)16-7-13-8-17(20,10-16)12-18(21,9-13)11-16/h13,20-21H,3-12H2,1-2H3/q+1