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

Systemtic Name: calcium 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one chloride Openeye Name: calcium 1,3,4,5,6-pentahydroxyhexan-2-one chloride CAS Name: calcium 1,3,4,5,6-pentahydroxy-2-hexanone chloride IUPAC Name: calcium 1,3,4,5,6-pentahydroxyhexan-2-one chloride Traditional Name: calcium 1,3,4,5,6-pentahydroxyhexan-2-one chloride Formula: C6H12CaClO6+ MolecularWeight: 255.68688

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(=O)CO)O)O)O)O.[Cl-].[Ca+2]

Isomeric SMILES

C(C(C(C(C(=O)CO)O)O)O)O.[Cl-].[Ca+2]

InChI

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