[3,4,5-tris(oxidanyl)-6-oxidanylidene-hexan-2-yl] pentanoate

Systemtic Name: [3,4,5-tris(oxidanyl)-6-oxidanylidene-hexan-2-yl] pentanoate Openeye Name: (2,3,4-trihydroxy-1-methyl-5-oxo-pentyl) pentanoate CAS Name: pentanoic acid (3,4,5-trihydroxy-6-oxohexan-2-yl) ester IUPAC Name: (3,4,5-trihydroxy-6-oxohexan-2-yl) pentanoate Traditional Name: valeric acid (2,3,4-trihydroxy-5-keto-1-methyl-pentyl) ester Formula: C11H20O6 MolecularWeight: 248.2729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)C(C(C(C=O)O)O)O

Isomeric SMILES

CCCCC(=O)OC(C)C(C(C(C=O)O)O)O

InChI

InChI=1S/C11H20O6/c1-3-4-5-9(14)17-7(2)10(15)11(16)8(13)6-12/h6-8,10-11,13,15-16H,3-5H2,1-2H3