(2S,3S)-3-oxidanyl-2-(phenylmethoxymethyl)hexanoic acid

Systemtic Name: (2S,3S)-3-oxidanyl-2-(phenylmethoxymethyl)hexanoic acid Openeye Name: (2S,3S)-2-(benzyloxymethyl)-3-hydroxy-hexanoic acid CAS Name: (2S,3S)-3-hydroxy-2-(phenylmethoxymethyl)hexanoic acid IUPAC Name: (2S,3S)-3-hydroxy-2-(phenylmethoxymethyl)hexanoic acid Traditional Name: (2S,3S)-2-(benzoxymethyl)-3-hydroxy-hexanoic acid Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(COCC1=CC=CC=C1)C(=O)O)O

Isomeric SMILES

CCC[C@@H]([C@H](COCC1=CC=CC=C1)C(=O)O)O

InChI

InChI=1S/C14H20O4/c1-2-6-13(15)12(14(16)17)10-18-9-11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,2,6,9-10H2,1H3,(H,16,17)/t12-,13-/m0/s1