(3S)-3-(4-ethylphenyl)-3-oxidanyl-pentanoate

Systemtic Name: (3S)-3-(4-ethylphenyl)-3-oxidanyl-pentanoate Openeye Name: (3S)-3-(4-ethylphenyl)-3-hydroxy-pentanoate CAS Name: (3S)-3-(4-ethylphenyl)-3-hydroxypentanoate IUPAC Name: (3S)-3-(4-ethylphenyl)-3-hydroxypentanoate Traditional Name: (3S)-3-(4-ethylphenyl)-3-hydroxy-valerate Formula: C13H17O3- MolecularWeight: 221.27228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC)(CC(=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](CC)(CC(=O)[O-])O

InChI

InChI=1S/C13H18O3/c1-3-10-5-7-11(8-6-10)13(16,4-2)9-12(14)15/h5-8,16H,3-4,9H2,1-2H3,(H,14,15)/p-1/t13-/m0/s1