[(3S,4S)-2,3,4-tris(oxidanyl)oxolan-2-yl]methyl 3-oxidanylideneoctanoate

Systemtic Name: [(3S,4S)-2,3,4-tris(oxidanyl)oxolan-2-yl]methyl 3-oxidanylideneoctanoate Openeye Name: [(3S,4S)-2,3,4-trihydroxytetrahydrofuran-2-yl]methyl 3-oxooctanoate CAS Name: 3-oxooctanoic acid [(3S,4S)-2,3,4-trihydroxy-2-oxolanyl]methyl ester IUPAC Name: [(3S,4S)-2,3,4-trihydroxyoxolan-2-yl]methyl 3-oxooctanoate Traditional Name: 3-ketocaprylic acid [(3S,4S)-2,3,4-trihydroxytetrahydrofuran-2-yl]methyl ester Formula: C13H22O7 MolecularWeight: 290.30958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC(=O)OCC1(C(C(CO1)O)O)O

Isomeric SMILES

CCCCCC(=O)CC(=O)OCC1([C@H]([C@H](CO1)O)O)O

InChI

InChI=1S/C13H22O7/c1-2-3-4-5-9(14)6-11(16)19-8-13(18)12(17)10(15)7-20-13/h10,12,15,17-18H,2-8H2,1H3/t10-,12-,13?/m0/s1