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

Systemtic Name: ethyl 4-[(2S,4S,6S)-6-hexyl-2-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]butanoate Openeye Name: ethyl 4-[(2S,4S,6S)-2-(3-benzyloxypropyl)-6-hexyl-1,3-dioxan-4-yl]butanoate CAS Name: 4-[(2S,4S,6S)-6-hexyl-2-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(2S,4S,6S)-6-hexyl-2-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]butanoate Traditional Name: 4-[(2S,4S,6S)-2-(3-benzoxypropyl)-6-hexyl-1,3-dioxan-4-yl]butyric acid ethyl ester Formula: C26H42O5 MolecularWeight: 434.60868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC(O1)CCCOCC2=CC=CC=C2)CCCC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H42O5/c1-3-5-6-10-15-23-20-24(16-11-17-25(27)29-4-2)31-26(30-23)18-12-19-28-21-22-13-8-7-9-14-22/h7-9,13-14,23-24,26H,3-6,10-12,15-21H2,1-2H3/t23-,24-,26-/m0/s1