[(2S,3S,4R,5R)-5-(hydroxymethyl)-2-octoxy-4-oxidanyl-oxolan-3-yl] benzoate

Systemtic Name: [(2S,3S,4R,5R)-5-(hydroxymethyl)-2-octoxy-4-oxidanyl-oxolan-3-yl] benzoate Openeye Name: [(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-octoxy-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-octoxy-3-oxolanyl] ester IUPAC Name: [(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-octoxyoxolan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,5R)-4-hydroxy-5-methylol-2-octoxy-tetrahydrofuran-3-yl] ester Formula: C20H30O6 MolecularWeight: 366.4486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(O1)CO)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H30O6/c1-2-3-4-5-6-10-13-24-20-18(17(22)16(14-21)25-20)26-19(23)15-11-8-7-9-12-15/h7-9,11-12,16-18,20-22H,2-6,10,13-14H2,1H3/t16-,17-,18+,20+/m1/s1