(2-bromanyl-4,5-dimethoxy-phenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C18H17BrO6 MolecularWeight: 409.22798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=CC3=C(C=C2)OCCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=CC3=C(C=C2)OCCO3)Br)OC

InChI

InChI=1S/C18H17BrO6/c1-21-15-8-12(13(19)9-16(15)22-2)10-25-18(20)11-3-4-14-17(7-11)24-6-5-23-14/h3-4,7-9H,5-6,10H2,1-2H3