phenyl (2S,3R)-2-ethyl-3-oxidanyl-pentanoate

Systemtic Name: phenyl (2S,3R)-2-ethyl-3-oxidanyl-pentanoate Openeye Name: phenyl (2S,3R)-2-ethyl-3-hydroxy-pentanoate CAS Name: (2S,3R)-2-ethyl-3-hydroxypentanoic acid phenyl ester IUPAC Name: phenyl (2S,3R)-2-ethyl-3-hydroxypentanoate Traditional Name: (2S,3R)-2-ethyl-3-hydroxy-valeric acid phenyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC)O)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CC[C@@H]([C@@H](CC)O)C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C13H18O3/c1-3-11(12(14)4-2)13(15)16-10-8-6-5-7-9-10/h5-9,11-12,14H,3-4H2,1-2H3/t11-,12+/m0/s1