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

Systemtic Name: methyl-[(3S,4S)-3-methyl-1-oxidanyl-1-oxidanylidene-octan-4-yl]-phenyl-sulfanium iodide Openeye Name: [(1S)-1-[(1S)-3-hydroxy-1-methyl-3-oxo-propyl]pentyl]-methyl-phenyl-sulfonium iodide CAS Name: [(3S,4S)-1-hydroxy-3-methyl-1-oxooctan-4-yl]-methyl-phenylsulfonium iodide IUPAC Name: [(3S,4S)-1-hydroxy-3-methyl-1-oxooctan-4-yl]-methyl-phenylsulfanium iodide Traditional Name: [(1S)-1-[(1S)-3-hydroxy-3-keto-1-methyl-propyl]pentyl]-methyl-phenyl-sulfonium iodide Formula: C16H25IO2S MolecularWeight: 408.33797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2S.HI/c1-4-5-11-15(13(2)12-16(17)18)19(3)14-9-7-6-8-10-14;/h6-10,13,15H,4-5,11-12H2,1-3H3;1H/t13-,15-,19?;/m0./s1