[(3S,4R)-4,6,6-tris(oxidanyl)hexan-3-yl] ethanoate

Systemtic Name: [(3S,4R)-4,6,6-tris(oxidanyl)hexan-3-yl] ethanoate Openeye Name: [(1S,2R)-1-ethyl-2,4,4-trihydroxy-butyl] acetate CAS Name: acetic acid [(3S,4R)-4,6,6-trihydroxyhexan-3-yl] ester IUPAC Name: [(3S,4R)-4,6,6-trihydroxyhexan-3-yl] acetate Traditional Name: acetic acid [(1S,2R)-1-ethyl-2,4,4-trihydroxy-butyl] ester Formula: C8H16O5 MolecularWeight: 192.20964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O5/c1-3-7(13-5(2)9)6(10)4-8(11)12/h6-8,10-12H,3-4H2,1-2H3/t6-,7+/m1/s1