1-[5-(3-bromanylpropoxy)-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[5-(3-bromanylpropoxy)-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[5-(3-bromopropoxy)-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[5-(3-bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[5-(3-bromopropoxy)-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[5-(3-bromopropoxy)-2-hydroxy-3-propyl-phenyl]ethanone Formula: C14H19BrO3 MolecularWeight: 315.20286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)OCCCBr)C(=O)C)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)OCCCBr)C(=O)C)O

InChI

InChI=1S/C14H19BrO3/c1-3-5-11-8-12(18-7-4-6-15)9-13(10(2)16)14(11)17/h8-9,17H,3-7H2,1-2H3