(3R,4R,5S)-5-methyl-1-(phenylmethyl)thian-1-ium-3,4-diol

Systemtic Name: (3R,4R,5S)-5-methyl-1-(phenylmethyl)thian-1-ium-3,4-diol Openeye Name: (3R,4R,5S)-1-benzyl-5-methyl-tetrahydrothiopyran-1-ium-3,4-diol CAS Name: (3R,4R,5S)-5-methyl-1-(phenylmethyl)thian-1-ium-3,4-diol IUPAC Name: (3R,4R,5S)-1-benzyl-5-methylthian-1-ium-3,4-diol Traditional Name: (3R,4R,5S)-1-benzyl-5-methyl-tetrahydrothiopyran-1-ium-3,4-diol Formula: C13H19O2S+ MolecularWeight: 239.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[S+](CC(C1O)O)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1C[S+](C[C@@H]([C@@H]1O)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H19O2S/c1-10-7-16(9-12(14)13(10)15)8-11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3/q+1/t10-,12+,13-,16?/m1/s1