[(2S,4R,6S)-6-hexyl-2-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl] ethanoate

Systemtic Name: [(2S,4R,6S)-6-hexyl-2-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl] ethanoate Openeye Name: [(2S,4R,6S)-2-(3-benzyloxypropyl)-6-hexyl-1,3-dioxan-4-yl] acetate CAS Name: acetic acid [(2S,4R,6S)-6-hexyl-2-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl] ester IUPAC Name: [(2S,4R,6S)-6-hexyl-2-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl] acetate Traditional Name: acetic acid [(2S,4R,6S)-2-(3-benzoxypropyl)-6-hexyl-1,3-dioxan-4-yl] ester Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC(O1)CCCOCC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCCCCC[C@H]1C[C@H](O[C@H](O1)CCCOCC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C22H34O5/c1-3-4-5-9-13-20-16-22(25-18(2)23)27-21(26-20)14-10-15-24-17-19-11-7-6-8-12-19/h6-8,11-12,20-22H,3-5,9-10,13-17H2,1-2H3/t20-,21-,22-/m0/s1