[5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl] octanoate

Systemtic Name: [5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl] octanoate Openeye Name: [2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl] octanoate CAS Name: octanoic acid [2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl] ester IUPAC Name: [2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl] octanoate Traditional Name: caprylic acid (2,3,4-trihydroxy-5-methylol-cyclohexyl) ester Formula: C15H28O6 MolecularWeight: 304.37922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CC(C(C(C1O)O)O)CO

Isomeric SMILES

CCCCCCCC(=O)OC1CC(C(C(C1O)O)O)CO

InChI

InChI=1S/C15H28O6/c1-2-3-4-5-6-7-12(17)21-11-8-10(9-16)13(18)15(20)14(11)19/h10-11,13-16,18-20H,2-9H2,1H3