[(2S,3R,5S)-5-(hydroxymethyl)-2-methyl-oxolan-3-yl] benzoate

Systemtic Name: [(2S,3R,5S)-5-(hydroxymethyl)-2-methyl-oxolan-3-yl] benzoate Openeye Name: [(2S,3R,5S)-5-(hydroxymethyl)-2-methyl-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,5S)-5-(hydroxymethyl)-2-methyl-3-oxolanyl] ester IUPAC Name: [(2S,3R,5S)-5-(hydroxymethyl)-2-methyloxolan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,5S)-2-methyl-5-methylol-tetrahydrofuran-3-yl] ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)CO)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-9-12(7-11(8-14)16-9)17-13(15)10-5-3-2-4-6-10/h2-6,9,11-12,14H,7-8H2,1H3/t9-,11-,12+/m0/s1