3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]ethyl]benzoic acid

Systemtic Name: 3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]ethyl]benzoic acid Openeye Name: 3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxo-oxetan-2-yl]ethyl]benzoic acid CAS Name: 3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]ethyl]benzoic acid IUPAC Name: 3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxooxetan-2-yl]ethyl]benzoic acid Traditional Name: 3-[2-[(2S,3S)-4-keto-3-methylol-oxetan-2-yl]ethyl]benzoic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5/c14-7-10-11(18-13(10)17)5-4-8-2-1-3-9(6-8)12(15)16/h1-3,6,10-11,14H,4-5,7H2,(H,15,16)/t10-,11-/m0/s1