2-methyl-3-oxidanyl-pyran-4-one; 2,3,4,5,6-pentakis(oxidanyl)hexanal

Systemtic Name: 2-methyl-3-oxidanyl-pyran-4-one; 2,3,4,5,6-pentakis(oxidanyl)hexanal Openeye Name: 3-hydroxy-2-methyl-pyran-4-one; 2,3,4,5,6-pentahydroxyhexanal CAS Name: 3-hydroxy-2-methyl-4-pyranone; 2,3,4,5,6-pentahydroxyhexanal IUPAC Name: 3-hydroxy-2-methylpyran-4-one; 2,3,4,5,6-pentahydroxyhexanal Traditional Name: 3-hydroxy-2-methyl-pyran-4-one; 2,3,4,5,6-pentahydroxyhexanal Formula: C18H30O15 MolecularWeight: 486.4218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CO1)O.C(C(C(C(C(C=O)O)O)O)O)O.C(C(C(C(C(C=O)O)O)O)O)O

Isomeric SMILES

CC1=C(C(=O)C=CO1)O.C(C(C(C(C(C=O)O)O)O)O)O.C(C(C(C(C(C=O)O)O)O)O)O

InChI

InChI=1S/2C6H12O6.C6H6O3/c2*7-1-3(9)5(11)6(12)4(10)2-8;1-4-6(8)5(7)2-3-9-4/h2*1,3-6,8-12H,2H2;2-3,8H,1H3