hexyl 2,3-bis(hydroxymethyl)-4-oxidanyl-but-2-eneperoxoate

Systemtic Name: hexyl 2,3-bis(hydroxymethyl)-4-oxidanyl-but-2-eneperoxoate Openeye Name: hexyl 4-hydroxy-2,3-bis(hydroxymethyl)but-2-eneperoxoate CAS Name: 4-hydroxy-2,3-bis(hydroxymethyl)-2-buteneperoxoic acid hexyl ester IUPAC Name: hexyl 4-hydroxy-2,3-bis(hydroxymethyl)but-2-eneperoxoate Traditional Name: 4-hydroxy-2,3-dimethylol-but-2-eneperoxoic acid hexyl ester Formula: C12H22O6 MolecularWeight: 262.29948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOOC(=O)C(=C(CO)CO)CO

Isomeric SMILES

CCCCCCOOC(=O)C(=C(CO)CO)CO

InChI

InChI=1S/C12H22O6/c1-2-3-4-5-6-17-18-12(16)11(9-15)10(7-13)8-14/h13-15H,2-9H2,1H3