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

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3,5,5-trimethyl-6-phenyl-oxane-2,4-dione Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]-3,5,5-trimethyl-6-phenyl-tetrahydropyran-2,4-dione CAS Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-3,5,5-trimethyl-6-phenyloxane-2,4-dione IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-3,5,5-trimethyl-6-phenyloxane-2,4-dione Traditional Name: 3-[2-(4-bromophenyl)-2-keto-ethyl]-3,5,5-trimethyl-6-phenyl-tetrahydropyran-2,4-quinone Formula: C22H21BrO4 MolecularWeight: 429.30374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrO4/c1-21(2)18(15-7-5-4-6-8-15)27-20(26)22(3,19(21)25)13-17(24)14-9-11-16(23)12-10-14/h4-12,18H,13H2,1-3H3