5-[2-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dithian-2-yl]-1,3-benzodioxole

Systemtic Name: 5-[2-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dithian-2-yl]-1,3-benzodioxole Openeye Name: 5-[2-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dithian-2-yl]-1,3-benzodioxole CAS Name: 5-[2-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dithian-2-yl]-1,3-benzodioxole IUPAC Name: 5-[2-[(3,4,5-trimethoxyphenyl)methyl]-1,3-dithian-2-yl]-1,3-benzodioxole Traditional Name: 5-[2-(3,4,5-trimethoxybenzyl)-1,3-dithian-2-yl]-1,3-benzodioxole Formula: C21H24O5S2 MolecularWeight: 420.54226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2(SCCCS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2(SCCCS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24O5S2/c1-22-18-9-14(10-19(23-2)20(18)24-3)12-21(27-7-4-8-28-21)15-5-6-16-17(11-15)26-13-25-16/h5-6,9-11H,4,7-8,12-13H2,1-3H3