ethanoic acid; 2-(2-oxidanylidene-4-pentyl-oxetan-3-yl)carbonyloxyethanoic acid

Systemtic Name: ethanoic acid; 2-(2-oxidanylidene-4-pentyl-oxetan-3-yl)carbonyloxyethanoic acid Openeye Name: acetic acid; 2-(2-oxo-4-pentyl-oxetane-3-carbonyl)oxyacetic acid CAS Name: acetic acid; 2-[oxo-(2-oxo-4-pentyl-3-oxetanyl)methoxy]acetic acid IUPAC Name: acetic acid; 2-(2-oxo-4-pentyloxetane-3-carbonyl)oxyacetic acid Traditional Name: acetic acid; 2-(2-amyl-4-keto-oxetane-3-carbonyl)oxyacetic acid Formula: C13H20O8 MolecularWeight: 304.2931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(=O)O1)C(=O)OCC(=O)O.CC(=O)O

Isomeric SMILES

CCCCCC1C(C(=O)O1)C(=O)OCC(=O)O.CC(=O)O

InChI

InChI=1S/C11H16O6.C2H4O2/c1-2-3-4-5-7-9(11(15)17-7)10(14)16-6-8(12)13;1-2(3)4/h7,9H,2-6H2,1H3,(H,12,13);1H3,(H,3,4)