[(2R,3S,4S)-2,4-dimethyl-3,5-bis(oxidanyl)pentyl] ethanoate

Systemtic Name: [(2R,3S,4S)-2,4-dimethyl-3,5-bis(oxidanyl)pentyl] ethanoate Openeye Name: [(2R,3S,4S)-3,5-dihydroxy-2,4-dimethyl-pentyl] acetate CAS Name: acetic acid [(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentyl] ester IUPAC Name: [(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentyl] acetate Traditional Name: acetic acid [(2R,3S,4S)-3,5-dihydroxy-2,4-dimethyl-pentyl] ester Formula: C9H18O4 MolecularWeight: 190.23682

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(C(C)COC(=O)C)O

Isomeric SMILES

C[C@@H](CO)[C@@H]([C@H](C)COC(=O)C)O

InChI

InChI=1S/C9H18O4/c1-6(4-10)9(12)7(2)5-13-8(3)11/h6-7,9-10,12H,4-5H2,1-3H3/t6-,7+,9-/m0/s1