phenyl (2S)-2-[(1S)-1-oxidanyl-1-phenyl-propyl]hexanoate

Systemtic Name: phenyl (2S)-2-[(1S)-1-oxidanyl-1-phenyl-propyl]hexanoate Openeye Name: phenyl (2S)-2-[(1S)-1-hydroxy-1-phenyl-propyl]hexanoate CAS Name: (2S)-2-[(1S)-1-hydroxy-1-phenylpropyl]hexanoic acid phenyl ester IUPAC Name: phenyl (2S)-2-[(1S)-1-hydroxy-1-phenylpropyl]hexanoate Traditional Name: (2S)-2-[(1S)-1-hydroxy-1-phenyl-propyl]hexanoic acid phenyl ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=CC=CC=C1)C(CC)(C2=CC=CC=C2)O

Isomeric SMILES

CCCC[C@H](C(=O)OC1=CC=CC=C1)[C@@](CC)(C2=CC=CC=C2)O

InChI

InChI=1S/C21H26O3/c1-3-5-16-19(20(22)24-18-14-10-7-11-15-18)21(23,4-2)17-12-8-6-9-13-17/h6-15,19,23H,3-5,16H2,1-2H3/t19-,21-/m1/s1