5-bromanyl-2-(phenoxymethyl)oxan-4-one

Systemtic Name: 5-bromanyl-2-(phenoxymethyl)oxan-4-one Openeye Name: 5-bromo-2-(phenoxymethyl)tetrahydropyran-4-one CAS Name: 5-bromo-2-(phenoxymethyl)-4-oxanone IUPAC Name: 5-bromo-2-(phenoxymethyl)oxan-4-one Traditional Name: 5-bromo-2-(phenoxymethyl)tetrahydropyran-4-one Formula: C12H13BrO3 MolecularWeight: 285.13382

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC(C1=O)Br)COC2=CC=CC=C2

Isomeric SMILES

C1C(OCC(C1=O)Br)COC2=CC=CC=C2

InChI

InChI=1S/C12H13BrO3/c13-11-8-16-10(6-12(11)14)7-15-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2