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

Systemtic Name: hexyl 3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]ethyl]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C19H26O5 MolecularWeight: 334.40674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26O5/c1-2-3-4-5-11-23-18(21)15-8-6-7-14(12-15)9-10-17-16(13-20)19(22)24-17/h6-8,12,16-17,20H,2-5,9-11,13H2,1H3/t16-,17-/m0/s1