propyl 3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]ethyl]benzoate

Systemtic Name: propyl 3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]ethyl]benzoate Openeye Name: propyl 3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxo-oxetan-2-yl]ethyl]benzoate CAS Name: 3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]ethyl]benzoic acid propyl ester IUPAC Name: propyl 3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxooxetan-2-yl]ethyl]benzoate Traditional Name: 3-[2-[(2S,3S)-4-keto-3-methylol-oxetan-2-yl]ethyl]benzoic acid propyl ester Formula: C16H20O5 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)CCC2C(C(=O)O2)CO

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)CC[C@H]2[C@@H](C(=O)O2)CO

InChI

InChI=1S/C16H20O5/c1-2-8-20-15(18)12-5-3-4-11(9-12)6-7-14-13(10-17)16(19)21-14/h3-5,9,13-14,17H,2,6-8,10H2,1H3/t13-,14-/m0/s1