3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyl-oxane-2,4-dione

Systemtic Name: 3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyl-oxane-2,4-dione Openeye Name: 3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyl-tetrahydropyran-2,4-dione CAS Name: 3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione IUPAC Name: 3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione Traditional Name: 3-(4-bromobenzyl)-6-(4-chlorophenyl)-3,5,5-trimethyl-tetrahydropyran-2,4-quinone Formula: C21H20BrClO3 MolecularWeight: 435.7387

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(=O)C(C1=O)(C)CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(C(OC(=O)C(C1=O)(C)CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H20BrClO3/c1-20(2)17(14-6-10-16(23)11-7-14)26-19(25)21(3,18(20)24)12-13-4-8-15(22)9-5-13/h4-11,17H,12H2,1-3H3