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

Systemtic Name: methyl 4-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]ethyl]benzoate Openeye Name: methyl 4-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxo-oxetan-2-yl]ethyl]benzoate CAS Name: 4-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxooxetan-2-yl]ethyl]benzoate Traditional Name: 4-[2-[(2S,3S)-4-keto-3-methylol-oxetan-2-yl]ethyl]benzoic acid methyl ester Formula: C14H16O5 MolecularWeight: 264.27384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O5/c1-18-13(16)10-5-2-9(3-6-10)4-7-12-11(8-15)14(17)19-12/h2-3,5-6,11-12,15H,4,7-8H2,1H3/t11-,12-/m0/s1