(6-bromanyl-1,3-benzodioxol-5-yl) benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl) benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl) benzoate CAS Name: benzoic acid (6-bromo-1,3-benzodioxol-5-yl) ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl) benzoate Traditional Name: benzoic acid (6-bromo-1,3-benzodioxol-5-yl) ester Formula: C14H9BrO4 MolecularWeight: 321.12286

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H9BrO4/c15-10-6-12-13(18-8-17-12)7-11(10)19-14(16)9-4-2-1-3-5-9/h1-7H,8H2