(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-phenylethanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-phenylethanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-phenylacetate CAS Name: 2-phenylacetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-phenylacetate Traditional Name: 2-phenylacetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H13BrO4 MolecularWeight: 349.17602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)CC3=CC=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)CC3=CC=CC=C3)Br

InChI

InChI=1S/C16H13BrO4/c17-13-8-15-14(20-10-21-15)7-12(13)9-19-16(18)6-11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2