(2S)-2-[4-(2,5-dimethylphenyl)phenoxy]propanoate

Systemtic Name: (2S)-2-[4-(2,5-dimethylphenyl)phenoxy]propanoate Openeye Name: (2S)-2-[4-(2,5-dimethylphenyl)phenoxy]propanoate CAS Name: (2S)-2-[4-(2,5-dimethylphenyl)phenoxy]propanoate IUPAC Name: (2S)-2-[4-(2,5-dimethylphenyl)phenoxy]propanoate Traditional Name: (2S)-2-[4-(2,5-dimethylphenyl)phenoxy]propionate Formula: C17H17O3- MolecularWeight: 269.31508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC=C(C=C2)OC(C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC=C(C=C2)O[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C17H18O3/c1-11-4-5-12(2)16(10-11)14-6-8-15(9-7-14)20-13(3)17(18)19/h4-10,13H,1-3H3,(H,18,19)/p-1/t13-/m0/s1