(2S)-3-(4-tert-butylphenyl)-2-oxidanyl-propanoate

Systemtic Name: (2S)-3-(4-tert-butylphenyl)-2-oxidanyl-propanoate Openeye Name: (2S)-3-(4-tert-butylphenyl)-2-hydroxy-propanoate CAS Name: (2S)-3-(4-tert-butylphenyl)-2-hydroxypropanoate IUPAC Name: (2S)-3-(4-tert-butylphenyl)-2-hydroxypropanoate Traditional Name: (2S)-3-(4-tert-butylphenyl)-2-hydroxy-propionate Formula: C13H17O3- MolecularWeight: 221.27228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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