6,6-diethyl-4-methyl-3-oxidanylidene-1,2,5-trioxepane-4-carboxylic acid

Systemtic Name: 6,6-diethyl-4-methyl-3-oxidanylidene-1,2,5-trioxepane-4-carboxylic acid Openeye Name: 6,6-diethyl-4-methyl-3-oxo-1,2,5-trioxepane-4-carboxylic acid CAS Name: 6,6-diethyl-4-methyl-3-oxo-1,2,5-trioxepane-4-carboxylic acid IUPAC Name: 6,6-diethyl-4-methyl-3-oxo-1,2,5-trioxepane-4-carboxylic acid Traditional Name: 6,6-diethyl-3-keto-4-methyl-1,2,5-trioxepane-4-carboxylic acid Formula: C10H16O6 MolecularWeight: 232.23044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COOC(=O)C(O1)(C)C(=O)O)CC

Isomeric SMILES

CCC1(COOC(=O)C(O1)(C)C(=O)O)CC

InChI

InChI=1S/C10H16O6/c1-4-10(5-2)6-14-15-8(13)9(3,16-10)7(11)12/h4-6H2,1-3H3,(H,11,12)