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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2SCCCS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2SCCCS2)C3=CC4=C(C=C3)OCO4

InChI

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