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

Systemtic Name: 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one; 3,5,5-trimethylhexanal Openeye Name: 1,3,4,5,6-pentahydroxyhexan-2-one; 3,5,5-trimethylhexanal CAS Name: 1,3,4,5,6-pentahydroxy-2-hexanone; 3,5,5-trimethylhexanal IUPAC Name: 1,3,4,5,6-pentahydroxyhexan-2-one; 3,5,5-trimethylhexanal Traditional Name: 1,3,4,5,6-pentahydroxyhexan-2-one; 3,5,5-trimethylhexanal Formula: C15H30O7 MolecularWeight: 322.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O.C6H12O6/c1-8(5-6-10)7-9(2,3)4;7-1-3(9)5(11)6(12)4(10)2-8/h6,8H,5,7H2,1-4H3;3,5-9,11-12H,1-2H2