1,3,4,5,6-pentakis(oxidanyl)hexan-2-one hydrate

Systemtic Name: 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one hydrate Openeye Name: 1,3,4,5,6-pentahydroxyhexan-2-one hydrate CAS Name: 1,3,4,5,6-pentahydroxy-2-hexanone hydrate IUPAC Name: 1,3,4,5,6-pentahydroxyhexan-2-one hydrate Traditional Name: 1,3,4,5,6-pentahydroxyhexan-2-one hydrate Formula: C6H14O7 MolecularWeight: 198.17116

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(=O)CO)O)O)O)O.O

Isomeric SMILES

C(C(C(C(C(=O)CO)O)O)O)O.O

InChI

InChI=1S/C6H12O6.H2O/c7-1-3(9)5(11)6(12)4(10)2-8;/h3,5-9,11-12H,1-2H2;1H2