phenyl (2S,3R)-2,4-dimethyl-3-oxidanyl-pentanoate

Systemtic Name: phenyl (2S,3R)-2,4-dimethyl-3-oxidanyl-pentanoate Openeye Name: phenyl (2S,3R)-3-hydroxy-2,4-dimethyl-pentanoate CAS Name: (2S,3R)-3-hydroxy-2,4-dimethylpentanoic acid phenyl ester IUPAC Name: phenyl (2S,3R)-3-hydroxy-2,4-dimethylpentanoate Traditional Name: (2S,3R)-3-hydroxy-2,4-dimethyl-valeric acid phenyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-9(2)12(14)10(3)13(15)16-11-7-5-4-6-8-11/h4-10,12,14H,1-3H3/t10-,12+/m0/s1