methyl-[(3S,4S)-3-methyl-1-oxidanyl-1-oxidanylidene-nonan-4-yl]-phenyl-sulfanium iodide

Systemtic Name: methyl-[(3S,4S)-3-methyl-1-oxidanyl-1-oxidanylidene-nonan-4-yl]-phenyl-sulfanium iodide Openeye Name: [(1S)-1-[(1S)-3-hydroxy-1-methyl-3-oxo-propyl]hexyl]-methyl-phenyl-sulfonium iodide CAS Name: [(3S,4S)-1-hydroxy-3-methyl-1-oxononan-4-yl]-methyl-phenylsulfonium iodide IUPAC Name: [(3S,4S)-1-hydroxy-3-methyl-1-oxononan-4-yl]-methyl-phenylsulfanium iodide Traditional Name: [(1S)-1-[(1S)-3-hydroxy-3-keto-1-methyl-propyl]hexyl]-methyl-phenyl-sulfonium iodide Formula: C17H27IO2S MolecularWeight: 422.36455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)CC(=O)O)[S+](C)C1=CC=CC=C1.[I-]

Isomeric SMILES

CCCCC[C@@H]([C@@H](C)CC(=O)O)[S+](C)C1=CC=CC=C1.[I-]

InChI

InChI=1S/C17H26O2S.HI/c1-4-5-7-12-16(14(2)13-17(18)19)20(3)15-10-8-6-9-11-15;/h6,8-11,14,16H,4-5,7,12-13H2,1-3H3;1H/t14-,16-,20?;/m0./s1