1-[4-(3-bromanylbutoxy)-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-(3-bromanylbutoxy)-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-(3-bromobutoxy)-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-(3-bromobutoxy)-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-(3-bromobutoxy)-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-(3-bromobutoxy)-2-hydroxy-3-propyl-phenyl]ethanone Formula: C15H21BrO3 MolecularWeight: 329.22944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC(C)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC(C)Br

InChI

InChI=1S/C15H21BrO3/c1-4-5-13-14(19-9-8-10(2)16)7-6-12(11(3)17)15(13)18/h6-7,10,18H,4-5,8-9H2,1-3H3