[(2S,3R)-3-acetamido-4-acetyloxy-1-phenylmethoxy-butan-2-yl]-methyl-phenyl-sulfanium iodide

Systemtic Name: [(2S,3R)-3-acetamido-4-acetyloxy-1-phenylmethoxy-butan-2-yl]-methyl-phenyl-sulfanium iodide Openeye Name: [(1S,2R)-2-acetamido-3-acetoxy-1-(benzyloxymethyl)propyl]-methyl-phenyl-sulfonium iodide CAS Name: [(2S,3R)-3-acetamido-4-acetyloxy-1-phenylmethoxybutan-2-yl]-methyl-phenylsulfonium iodide IUPAC Name: [(2S,3R)-3-acetamido-4-acetyloxy-1-phenylmethoxybutan-2-yl]-methyl-phenylsulfanium iodide Traditional Name: [(1S,2R)-2-acetamido-3-acetoxy-1-(benzoxymethyl)propyl]-methyl-phenyl-sulfonium iodide Formula: C22H28INO4S MolecularWeight: 529.43149

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC(=O)C)C(COCC1=CC=CC=C1)[S+](C)C2=CC=CC=C2.[I-]

Isomeric SMILES

CC(=O)N[C@H](COC(=O)C)[C@@H](COCC1=CC=CC=C1)[S+](C)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C22H27NO4S.HI/c1-17(24)23-21(15-27-18(2)25)22(28(3)20-12-8-5-9-13-20)16-26-14-19-10-6-4-7-11-19;/h4-13,21-22H,14-16H2,1-3H3;1H/t21-,22-,28?;/m1./s1