6-[3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]ethyl]phenyl]hexanoic acid

Systemtic Name: 6-[3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]ethyl]phenyl]hexanoic acid Openeye Name: 6-[3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxo-oxetan-2-yl]ethyl]phenyl]hexanoic acid CAS Name: 6-[3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]ethyl]phenyl]hexanoic acid IUPAC Name: 6-[3-[2-[(2S,3S)-3-(hydroxymethyl)-4-oxooxetan-2-yl]ethyl]phenyl]hexanoic acid Traditional Name: 6-[3-[2-[(2S,3S)-4-keto-3-methylol-oxetan-2-yl]ethyl]phenyl]hexanoic acid Formula: C18H24O5 MolecularWeight: 320.38016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O5/c19-12-15-16(23-18(15)22)10-9-14-7-4-6-13(11-14)5-2-1-3-8-17(20)21/h4,6-7,11,15-16,19H,1-3,5,8-10,12H2,(H,20,21)/t15-,16-/m0/s1