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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-13(2,3)11(14)9-12(15)16-10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-/m0/s1