3-bromanyl-8-oxabicyclo[2.2.2]octa-1,3,5-triene; phenyl ethanoate

Systemtic Name: 3-bromanyl-8-oxabicyclo[2.2.2]octa-1,3,5-triene; phenyl ethanoate Openeye Name: 3-bromo-8-oxabicyclo[2.2.2]octa-1,3,5-triene; phenyl acetate CAS Name: acetic acid phenyl ester; 3-bromo-8-oxabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: 3-bromo-8-oxabicyclo[2.2.2]octa-1,3,5-triene; phenyl acetate Traditional Name: acetic acid phenyl ester; 3-bromo-8-oxabicyclo[2.2.2]octa-1,3,5-triene Formula: C15H13BrO3 MolecularWeight: 321.16592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1.C1C2=CC(=C(O1)C=C2)Br

Isomeric SMILES

CC(=O)OC1=CC=CC=C1.C1C2=CC(=C(O1)C=C2)Br

InChI

InChI=1S/C8H8O2.C7H5BrO/c1-7(9)10-8-5-3-2-4-6-8;8-6-3-5-1-2-7(6)9-4-5/h2-6H,1H3;1-3H,4H2