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

Systemtic Name: methyl-[(3S,4S)-3-methyl-1-oxidanyl-1-oxidanylidene-octan-4-yl]-phenyl-sulfanium Openeye Name: [(1S)-1-[(1S)-3-hydroxy-1-methyl-3-oxo-propyl]pentyl]-methyl-phenyl-sulfonium CAS Name: [(3S,4S)-1-hydroxy-3-methyl-1-oxooctan-4-yl]-methyl-phenylsulfonium IUPAC Name: [(3S,4S)-1-hydroxy-3-methyl-1-oxooctan-4-yl]-methyl-phenylsulfanium Traditional Name: [(1S)-1-[(1S)-3-hydroxy-3-keto-1-methyl-propyl]pentyl]-methyl-phenyl-sulfonium Formula: C16H25O2S+ MolecularWeight: 281.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2S/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/p+1/t13-,15-,19?/m0/s1