2-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dithiane

Systemtic Name: 2-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dithiane Openeye Name: 2-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dithiane CAS Name: 2-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dithiane IUPAC Name: 2-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dithiane Traditional Name: 2-(3,4,5-trimethoxybenzyl)-1,3-dithiane Formula: C14H20O3S2 MolecularWeight: 300.4368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2SCCCS2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2SCCCS2

InChI

InChI=1S/C14H20O3S2/c1-15-11-7-10(8-12(16-2)14(11)17-3)9-13-18-5-4-6-19-13/h7-8,13H,4-6,9H2,1-3H3