3-methyl-6-[(7-oxidanylideneoxepan-2-yl)methyl]-1,4-dioxane-2,5-dione

Systemtic Name: 3-methyl-6-[(7-oxidanylideneoxepan-2-yl)methyl]-1,4-dioxane-2,5-dione Openeye Name: 3-methyl-6-[(7-oxooxepan-2-yl)methyl]-1,4-dioxane-2,5-dione CAS Name: 3-methyl-6-[(7-oxo-2-oxepanyl)methyl]-1,4-dioxane-2,5-dione IUPAC Name: 3-methyl-6-[(7-oxooxepan-2-yl)methyl]-1,4-dioxane-2,5-dione Traditional Name: 3-[(7-ketooxepan-2-yl)methyl]-6-methyl-1,4-dioxane-2,5-quinone Formula: C12H16O6 MolecularWeight: 256.25184

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)OC(C(=O)O1)CC2CCCCC(=O)O2

Isomeric SMILES

CC1C(=O)OC(C(=O)O1)CC2CCCCC(=O)O2

InChI

InChI=1S/C12H16O6/c1-7-11(14)18-9(12(15)16-7)6-8-4-2-3-5-10(13)17-8/h7-9H,2-6H2,1H3