2-[(2S,3R)-2-methyl-3-phenylmethoxy-pentyl]-1,3-dithiane

Systemtic Name: 2-[(2S,3R)-2-methyl-3-phenylmethoxy-pentyl]-1,3-dithiane Openeye Name: 2-[(2S,3R)-3-benzyloxy-2-methyl-pentyl]-1,3-dithiane CAS Name: 2-[(2S,3R)-2-methyl-3-phenylmethoxypentyl]-1,3-dithiane IUPAC Name: 2-[(2S,3R)-2-methyl-3-phenylmethoxypentyl]-1,3-dithiane Traditional Name: 2-[(2S,3R)-3-benzoxy-2-methyl-pentyl]-1,3-dithiane Formula: C17H26OS2 MolecularWeight: 310.51774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1SCCCS1)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H]([C@@H](C)CC1SCCCS1)OCC2=CC=CC=C2

InChI

InChI=1S/C17H26OS2/c1-3-16(18-13-15-8-5-4-6-9-15)14(2)12-17-19-10-7-11-20-17/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3/t14-,16+/m0/s1