(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3,4-dimethoxybenzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3,4-dimethoxybenzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H15BrO6 MolecularWeight: 395.2014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)OC

InChI

InChI=1S/C17H15BrO6/c1-20-13-4-3-10(5-14(13)21-2)17(19)22-8-11-6-15-16(7-12(11)18)24-9-23-15/h3-7H,8-9H2,1-2H3