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

Systemtic Name: 3-[(4-bromophenyl)methyl]-3,5,5-trimethyl-6-phenyl-oxane-2,4-dione Openeye Name: 3-[(4-bromophenyl)methyl]-3,5,5-trimethyl-6-phenyl-tetrahydropyran-2,4-dione CAS Name: 3-[(4-bromophenyl)methyl]-3,5,5-trimethyl-6-phenyloxane-2,4-dione IUPAC Name: 3-[(4-bromophenyl)methyl]-3,5,5-trimethyl-6-phenyloxane-2,4-dione Traditional Name: 3-(4-bromobenzyl)-3,5,5-trimethyl-6-phenyl-tetrahydropyran-2,4-quinone Formula: C21H21BrO3 MolecularWeight: 401.29364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO3/c1-20(2)17(15-7-5-4-6-8-15)25-19(24)21(3,18(20)23)13-14-9-11-16(22)12-10-14/h4-12,17H,13H2,1-3H3