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

Systemtic Name: decanoic acid; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one Openeye Name: decanoic acid; 1,3,4,5,6-pentahydroxyhexan-2-one CAS Name: decanoic acid; 1,3,4,5,6-pentahydroxy-2-hexanone IUPAC Name: decanoic acid; 1,3,4,5,6-pentahydroxyhexan-2-one Traditional Name: capric acid; 1,3,4,5,6-pentahydroxyhexan-2-one Formula: C66H132O18 MolecularWeight: 1213.74348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C10H20O2.C6H12O6/c6*1-2-3-4-5-6-7-8-9-10(11)12;7-1-3(9)5(11)6(12)4(10)2-8/h6*2-9H2,1H3,(H,11,12);3,5-9,11-12H,1-2H2