5-heptanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-heptanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-heptanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-(1-oxoheptyl)-1,3-dioxane-4,6-dione IUPAC Name: 5-heptanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-enanthyl-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H20O5 MolecularWeight: 256.2949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1C(=O)OC(OC1=O)(C)C

Isomeric SMILES

CCCCCCC(=O)C1C(=O)OC(OC1=O)(C)C

InChI

InChI=1S/C13H20O5/c1-4-5-6-7-8-9(14)10-11(15)17-13(2,3)18-12(10)16/h10H,4-8H2,1-3H3