(2S)-2-[4-[(1S)-2-methyl-1-oxidanyl-propyl]phenyl]propanoate

Systemtic Name: (2S)-2-[4-[(1S)-2-methyl-1-oxidanyl-propyl]phenyl]propanoate Openeye Name: (2S)-2-[4-[(1S)-1-hydroxy-2-methyl-propyl]phenyl]propanoate CAS Name: (2S)-2-[4-[(1S)-1-hydroxy-2-methylpropyl]phenyl]propanoate IUPAC Name: (2S)-2-[4-[(1S)-1-hydroxy-2-methylpropyl]phenyl]propanoate Traditional Name: (2S)-2-[4-[(1S)-1-hydroxy-2-methyl-propyl]phenyl]propionate Formula: C13H17O3- MolecularWeight: 221.27228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)/p-1/t9-,12-/m0/s1