(2S)-2-phenyl-2-(2,3,5-trimethylphenoxy)ethanoate

Systemtic Name: (2S)-2-phenyl-2-(2,3,5-trimethylphenoxy)ethanoate Openeye Name: (2S)-2-phenyl-2-(2,3,5-trimethylphenoxy)acetate CAS Name: (2S)-2-phenyl-2-(2,3,5-trimethylphenoxy)acetate IUPAC Name: (2S)-2-phenyl-2-(2,3,5-trimethylphenoxy)acetate Traditional Name: (2S)-2-phenyl-2-(2,3,5-trimethylphenoxy)acetate Formula: C17H17O3- MolecularWeight: 269.31508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O3/c1-11-9-12(2)13(3)15(10-11)20-16(17(18)19)14-7-5-4-6-8-14/h4-10,16H,1-3H3,(H,18,19)/p-1/t16-/m0/s1