6-(4-bromophenyl)-3-ethyl-5,5-dimethyl-oxane-2,4-dione

Systemtic Name: 6-(4-bromophenyl)-3-ethyl-5,5-dimethyl-oxane-2,4-dione Openeye Name: 6-(4-bromophenyl)-3-ethyl-5,5-dimethyl-tetrahydropyran-2,4-dione CAS Name: 6-(4-bromophenyl)-3-ethyl-5,5-dimethyloxane-2,4-dione IUPAC Name: 6-(4-bromophenyl)-3-ethyl-5,5-dimethyloxane-2,4-dione Traditional Name: 6-(4-bromophenyl)-3-ethyl-5,5-dimethyl-tetrahydropyran-2,4-quinone Formula: C15H17BrO3 MolecularWeight: 325.19768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C

Isomeric SMILES

CCC1C(=O)C(C(OC1=O)C2=CC=C(C=C2)Br)(C)C

InChI

InChI=1S/C15H17BrO3/c1-4-11-12(17)15(2,3)13(19-14(11)18)9-5-7-10(16)8-6-9/h5-8,11,13H,4H2,1-3H3