1-(4-bromophenyl)-4-(2,6-dimethylphenoxy)butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-(2,6-dimethylphenoxy)butan-1-one Openeye Name: 1-(4-bromophenyl)-4-(2,6-dimethylphenoxy)butan-1-one CAS Name: 1-(4-bromophenyl)-4-(2,6-dimethylphenoxy)-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-(2,6-dimethylphenoxy)butan-1-one Traditional Name: 1-(4-bromophenyl)-4-(2,6-dimethylphenoxy)butan-1-one Formula: C18H19BrO2 MolecularWeight: 347.24626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrO2/c1-13-5-3-6-14(2)18(13)21-12-4-7-17(20)15-8-10-16(19)11-9-15/h3,5-6,8-11H,4,7,12H2,1-2H3