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

Systemtic Name: [(3S,4S)-4-methyl-4,6,6-tris(oxidanyl)hexan-3-yl] ethanoate Openeye Name: [(1S,2S)-1-ethyl-2,4,4-trihydroxy-2-methyl-butyl] acetate CAS Name: acetic acid [(3S,4S)-4,6,6-trihydroxy-4-methylhexan-3-yl] ester IUPAC Name: [(3S,4S)-4,6,6-trihydroxy-4-methylhexan-3-yl] acetate Traditional Name: acetic acid [(1S,2S)-1-ethyl-2,4,4-trihydroxy-2-methyl-butyl] ester Formula: C9H18O5 MolecularWeight: 206.23622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O5/c1-4-7(14-6(2)10)9(3,13)5-8(11)12/h7-8,11-13H,4-5H2,1-3H3/t7-,9-/m0/s1