5-[(3-bromophenyl)-iodanyl-methyl]oxan-2-one

Systemtic Name: 5-[(3-bromophenyl)-iodanyl-methyl]oxan-2-one Openeye Name: 5-[(3-bromophenyl)-iodo-methyl]tetrahydropyran-2-one CAS Name: 5-[(3-bromophenyl)-iodomethyl]-2-oxanone IUPAC Name: 5-[(3-bromophenyl)-iodomethyl]oxan-2-one Traditional Name: 5-[(3-bromophenyl)-iodo-methyl]tetrahydropyran-2-one Formula: C12H12BrIO2 MolecularWeight: 395.03095

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)OCC1C(C2=CC(=CC=C2)Br)I

Isomeric SMILES

C1CC(=O)OCC1C(C2=CC(=CC=C2)Br)I

InChI

InChI=1S/C12H12BrIO2/c13-10-3-1-2-8(6-10)12(14)9-4-5-11(15)16-7-9/h1-3,6,9,12H,4-5,7H2