1,3-benzodioxol-5-yl 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C16H13BrO6 MolecularWeight: 381.17482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13BrO6/c1-19-13-5-9(6-14(20-2)15(13)17)16(18)23-10-3-4-11-12(7-10)22-8-21-11/h3-7H,8H2,1-2H3