(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H19BrO8S MolecularWeight: 499.32906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H19BrO8S/c21-15-11-19-17(26-6-7-28-19)9-13(15)12-29-20(22)3-8-30(23,24)14-1-2-16-18(10-14)27-5-4-25-16/h1-2,9-11H,3-8,12H2