5-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)cyclohexane-1,3-dione

Systemtic Name: 5-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)cyclohexane-1,3-dione Openeye Name: 5-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)cyclohexane-1,3-dione CAS Name: 5-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)cyclohexane-1,3-dione IUPAC Name: 5-(3-bromophenyl)-2-(2,4,6-trimethylphenyl)cyclohexane-1,3-dione Traditional Name: 5-(3-bromophenyl)-2-mesityl-cyclohexane-1,3-quinone Formula: C21H21BrO2 MolecularWeight: 385.29424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2C(=O)CC(CC2=O)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2C(=O)CC(CC2=O)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C21H21BrO2/c1-12-7-13(2)20(14(3)8-12)21-18(23)10-16(11-19(21)24)15-5-4-6-17(22)9-15/h4-9,16,21H,10-11H2,1-3H3