2-ethyl-3-oxidanyl-pyran-4-one; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one

Systemtic Name: 2-ethyl-3-oxidanyl-pyran-4-one; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one Openeye Name: 2-ethyl-3-hydroxy-pyran-4-one; 1,3,4,5,6-pentahydroxyhexan-2-one CAS Name: 2-ethyl-3-hydroxy-4-pyranone; 1,3,4,5,6-pentahydroxy-2-hexanone IUPAC Name: 2-ethyl-3-hydroxypyran-4-one; 1,3,4,5,6-pentahydroxyhexan-2-one Traditional Name: 2-ethyl-3-hydroxy-pyran-4-one; 1,3,4,5,6-pentahydroxyhexan-2-one Formula: C13H20O9 MolecularWeight: 320.2925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=CO1)O.C(C(C(C(C(=O)CO)O)O)O)O

Isomeric SMILES

CCC1=C(C(=O)C=CO1)O.C(C(C(C(C(=O)CO)O)O)O)O

InChI

InChI=1S/C7H8O3.C6H12O6/c1-2-6-7(9)5(8)3-4-10-6;7-1-3(9)5(11)6(12)4(10)2-8/h3-4,9H,2H2,1H3;3,5-9,11-12H,1-2H2