5-[[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 5-[[5-(2-bromo-4-methyl-phenyl)-2-furyl]methylene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione CAS Name: 5-[[5-(2-bromo-4-methylphenyl)-2-furanyl]methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 5-[[5-(2-bromo-4-methyl-phenyl)-2-furyl]methylene]-2-butyl-2-methyl-1,3-dioxane-4,6-quinone Formula: C21H21BrO5 MolecularWeight: 433.29244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)C)Br)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)C)Br)C(=O)O1)C

InChI

InChI=1S/C21H21BrO5/c1-4-5-10-21(3)26-19(23)16(20(24)27-21)12-14-7-9-18(25-14)15-8-6-13(2)11-17(15)22/h6-9,11-12H,4-5,10H2,1-3H3