1-bromanyl-5-methyl-3-oxidanyl-3-phenyl-hexan-2-one

Systemtic Name: 1-bromanyl-5-methyl-3-oxidanyl-3-phenyl-hexan-2-one Openeye Name: 1-bromo-3-hydroxy-5-methyl-3-phenyl-hexan-2-one CAS Name: 1-bromo-3-hydroxy-5-methyl-3-phenyl-2-hexanone IUPAC Name: 1-bromo-3-hydroxy-5-methyl-3-phenylhexan-2-one Traditional Name: 1-bromo-3-hydroxy-5-methyl-3-phenyl-hexan-2-one Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)(C(=O)CBr)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)(C(=O)CBr)O

InChI

InChI=1S/C13H17BrO2/c1-10(2)8-13(16,12(15)9-14)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3