(7-oxidanylideneoxepan-4-yl) 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoate

Systemtic Name: (7-oxidanylideneoxepan-4-yl) 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoate Openeye Name: (7-oxooxepan-4-yl) 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoate CAS Name: 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid (7-oxo-4-oxepanyl) ester IUPAC Name: (7-oxooxepan-4-yl) 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate Traditional Name: 3-hydroxy-2-methyl-2-methylol-propionic acid (7-ketooxepan-4-yl) ester Formula: C11H18O6 MolecularWeight: 246.25702

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)C(=O)OC1CCC(=O)OCC1

Isomeric SMILES

CC(CO)(CO)C(=O)OC1CCC(=O)OCC1

InChI

InChI=1S/C11H18O6/c1-11(6-12,7-13)10(15)17-8-2-3-9(14)16-5-4-8/h8,12-13H,2-7H2,1H3