1,3-benzodioxol-5-ylmethyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid piperonyl ester Formula: C18H17BrO6 MolecularWeight: 409.22798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OCC2=CC3=C(C=C2)OCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OCC2=CC3=C(C=C2)OCO3)Br)OC

InChI

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