3,6-dimethyl-1,4-dioxane-2,5-dione; oxepan-2-one

Systemtic Name: 3,6-dimethyl-1,4-dioxane-2,5-dione; oxepan-2-one Openeye Name: 3,6-dimethyl-1,4-dioxane-2,5-dione; oxepan-2-one CAS Name: 3,6-dimethyl-1,4-dioxane-2,5-dione; 2-oxepanone IUPAC Name: 3,6-dimethyl-1,4-dioxane-2,5-dione; oxepan-2-one Traditional Name: 3,6-dimethyl-1,4-dioxane-2,5-quinone; oxepan-2-one Formula: C12H18O6 MolecularWeight: 258.26772

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)OC(C(=O)O1)C.C1CCC(=O)OCC1

Isomeric SMILES

CC1C(=O)OC(C(=O)O1)C.C1CCC(=O)OCC1

InChI

InChI=1S/C6H8O4.C6H10O2/c1-3-5(7)10-4(2)6(8)9-3;7-6-4-2-1-3-5-8-6/h3-4H,1-2H3;1-5H2