(2S)-2-(3,5-dimethylphenoxy)butanoate

Systemtic Name: (2S)-2-(3,5-dimethylphenoxy)butanoate Openeye Name: (2S)-2-(3,5-dimethylphenoxy)butanoate CAS Name: (2S)-2-(3,5-dimethylphenoxy)butanoate IUPAC Name: (2S)-2-(3,5-dimethylphenoxy)butanoate Traditional Name: (2S)-2-(3,5-dimethylphenoxy)butyrate Formula: C12H15O3- MolecularWeight: 207.2457

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=CC(=CC(=C1)C)C

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3/c1-4-11(12(13)14)15-10-6-8(2)5-9(3)7-10/h5-7,11H,4H2,1-3H3,(H,13,14)/p-1/t11-/m0/s1