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

Systemtic Name: 2-[3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]ethyl]phenoxy]octanoic acid Openeye Name: 2-[3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxo-oxetan-2-yl]ethyl]phenoxy]octanoic acid CAS Name: 2-[3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]ethyl]phenoxy]octanoic acid IUPAC Name: 2-[3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxooxetan-2-yl]ethyl]phenoxy]octanoic acid Traditional Name: 2-[3-[2-[(2S,3S)-4-keto-3-methylol-oxetan-2-yl]ethyl]phenoxy]caprylic acid Formula: C20H28O6 MolecularWeight: 364.43272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)OC1=CC=CC(=C1)CCC2C(C(=O)O2)CO

Isomeric SMILES

CCCCCCC(C(=O)O)OC1=CC=CC(=C1)CC[C@H]2[C@@H](C(=O)O2)CO

InChI

InChI=1S/C20H28O6/c1-2-3-4-5-9-18(19(22)23)25-15-8-6-7-14(12-15)10-11-17-16(13-21)20(24)26-17/h6-8,12,16-18,21H,2-5,9-11,13H2,1H3,(H,22,23)/t16-,17-,18?/m0/s1