2-[(2S,3S,4S,5R)-2,4,5-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxypropanoic acid

Systemtic Name: 2-[(2S,3S,4S,5R)-2,4,5-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxypropanoic acid Openeye Name: 2-[(1S,2S,3R)-2,3-dihydroxy-1-[(1S)-1-hydroxyethyl]-4-oxo-butoxy]propanoic acid CAS Name: 2-[(2S,3S,4S,5R)-2,4,5-trihydroxy-6-oxohexan-3-yl]oxypropanoic acid IUPAC Name: 2-[(2S,3S,4S,5R)-2,4,5-trihydroxy-6-oxohexan-3-yl]oxypropanoic acid Traditional Name: 2-[(1S,2S,3R)-2,3-dihydroxy-1-[(1S)-1-hydroxyethyl]-4-keto-butoxy]propionic acid Formula: C9H16O7 MolecularWeight: 236.21914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(C=O)O)O)OC(C)C(=O)O)O

Isomeric SMILES

C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)OC(C)C(=O)O)O

InChI

InChI=1S/C9H16O7/c1-4(11)8(7(13)6(12)3-10)16-5(2)9(14)15/h3-8,11-13H,1-2H3,(H,14,15)/t4-,5?,6-,7-,8-/m0/s1