[2-(1-adamantyl)-2-oxidanylidene-ethyl]-didodecyl-sulfanium

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl]-didodecyl-sulfanium Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl]-didodecyl-sulfonium CAS Name: [2-(1-adamantyl)-2-oxoethyl]-didodecylsulfonium IUPAC Name: [2-(1-adamantyl)-2-oxoethyl]-didodecylsulfanium Traditional Name: [2-(1-adamantyl)-2-keto-ethyl]-dilauryl-sulfonium Formula: C36H67OS+ MolecularWeight: 547.98158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C36H67OS/c1-3-5-7-9-11-13-15-17-19-21-23-38(24-22-20-18-16-14-12-10-8-6-4-2)31-35(37)36-28-32-25-33(29-36)27-34(26-32)30-36/h32-34H,3-31H2,1-2H3/q+1