5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-2-hexyl-2-methyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-2-hexyl-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 5-[[5-(3-bromophenyl)-2-furyl]methylene]-2-hexyl-2-methyl-1,3-dioxane-4,6-dione CAS Name: 5-[[5-(3-bromophenyl)-2-furanyl]methylidene]-2-hexyl-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-2-hexyl-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 5-[[5-(3-bromophenyl)-2-furyl]methylene]-2-hexyl-2-methyl-1,3-dioxane-4,6-quinone Formula: C22H23BrO5 MolecularWeight: 447.31902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(OC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)Br)C(=O)O1)C

Isomeric SMILES

CCCCCCC1(OC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)Br)C(=O)O1)C

InChI

InChI=1S/C22H23BrO5/c1-3-4-5-6-12-22(2)27-20(24)18(21(25)28-22)14-17-10-11-19(26-17)15-8-7-9-16(23)13-15/h7-11,13-14H,3-6,12H2,1-2H3