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

Systemtic Name: 2-heptylundecanoic acid; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one Openeye Name: 2-heptylundecanoic acid; 1,3,4,5,6-pentahydroxyhexan-2-one CAS Name: 2-heptylundecanoic acid; 1,3,4,5,6-pentahydroxy-2-hexanone IUPAC Name: 2-heptylundecanoic acid; 1,3,4,5,6-pentahydroxyhexan-2-one Traditional Name: 2-heptylundecanoic acid; 1,3,4,5,6-pentahydroxyhexan-2-one Formula: C24H48O8 MolecularWeight: 464.63312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCC)C(=O)O.C(C(C(C(C(=O)CO)O)O)O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCC)C(=O)O.C(C(C(C(C(=O)CO)O)O)O)O

InChI

InChI=1S/C18H36O2.C6H12O6/c1-3-5-7-9-10-12-14-16-17(18(19)20)15-13-11-8-6-4-2;7-1-3(9)5(11)6(12)4(10)2-8/h17H,3-16H2,1-2H3,(H,19,20);3,5-9,11-12H,1-2H2