5-[3-(4-bromophenyl)-1-phenyl-prop-2-ynyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[3-(4-bromophenyl)-1-phenyl-prop-2-ynyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[3-(4-bromophenyl)-1-phenyl-prop-2-ynyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[3-(4-bromophenyl)-1-phenylprop-2-ynyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[3-(4-bromophenyl)-1-phenylprop-2-ynyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[3-(4-bromophenyl)-1-phenyl-prop-2-ynyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C21H17BrO4 MolecularWeight: 413.26128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C(C#CC2=CC=C(C=C2)Br)C3=CC=CC=C3)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C(C#CC2=CC=C(C=C2)Br)C3=CC=CC=C3)C

InChI

InChI=1S/C21H17BrO4/c1-21(2)25-19(23)18(20(24)26-21)17(15-6-4-3-5-7-15)13-10-14-8-11-16(22)12-9-14/h3-9,11-12,17-18H,1-2H3