(2S)-3-methyl-2-(2,3,5-trimethylphenoxy)butanoate

Systemtic Name: (2S)-3-methyl-2-(2,3,5-trimethylphenoxy)butanoate Openeye Name: (2S)-3-methyl-2-(2,3,5-trimethylphenoxy)butanoate CAS Name: (2S)-3-methyl-2-(2,3,5-trimethylphenoxy)butanoate IUPAC Name: (2S)-3-methyl-2-(2,3,5-trimethylphenoxy)butanoate Traditional Name: (2S)-3-methyl-2-(2,3,5-trimethylphenoxy)butyrate Formula: C14H19O3- MolecularWeight: 235.29886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(C(C)C)C(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)O[C@@H](C(C)C)C(=O)[O-])C)C

InChI

InChI=1S/C14H20O3/c1-8(2)13(14(15)16)17-12-7-9(3)6-10(4)11(12)5/h6-8,13H,1-5H3,(H,15,16)/p-1/t13-/m0/s1