(3,4-dimethoxyphenyl)-[6-(1,3-dithian-2-yl)-1,3-benzodioxol-5-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[6-(1,3-dithian-2-yl)-1,3-benzodioxol-5-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[6-(1,3-dithian-2-yl)-1,3-benzodioxol-5-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[6-(1,3-dithian-2-yl)-1,3-benzodioxol-5-yl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[6-(1,3-dithian-2-yl)-1,3-benzodioxol-5-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[6-(1,3-dithian-2-yl)-1,3-benzodioxol-5-yl]methanone Formula: C20H20O5S2 MolecularWeight: 404.4998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2C4SCCCS4)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2C4SCCCS4)OCO3)OC

InChI

InChI=1S/C20H20O5S2/c1-22-15-5-4-12(8-16(15)23-2)19(21)13-9-17-18(25-11-24-17)10-14(13)20-26-6-3-7-27-20/h4-5,8-10,20H,3,6-7,11H2,1-2H3