5-bromanyloxocane; 2-oxidanyl-1-(3-prop-2-enylphenyl)ethanone

Systemtic Name: 5-bromanyloxocane; 2-oxidanyl-1-(3-prop-2-enylphenyl)ethanone Openeye Name: 1-(3-allylphenyl)-2-hydroxy-ethanone; 5-bromooxocane CAS Name: 5-bromooxocane; 2-hydroxy-1-(3-prop-2-enylphenyl)ethanone IUPAC Name: 5-bromooxocane; 2-hydroxy-1-(3-prop-2-enylphenyl)ethanone Traditional Name: 1-(3-allylphenyl)-2-hydroxy-ethanone; 5-bromooxocane Formula: C18H25BrO3 MolecularWeight: 369.2933

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=C1)C(=O)CO.C1CC(CCCOC1)Br

Isomeric SMILES

C=CCC1=CC=CC(=C1)C(=O)CO.C1CC(CCCOC1)Br

InChI

InChI=1S/C11H12O2.C7H13BrO/c1-2-4-9-5-3-6-10(7-9)11(13)8-12;8-7-3-1-5-9-6-2-4-7/h2-3,5-7,12H,1,4,8H2;7H,1-6H2