(2S)-2-(4-bromanyl-2,3,6-trimethyl-phenoxy)propanoate

Systemtic Name: (2S)-2-(4-bromanyl-2,3,6-trimethyl-phenoxy)propanoate Openeye Name: (2S)-2-(4-bromo-2,3,6-trimethyl-phenoxy)propanoate CAS Name: (2S)-2-(4-bromo-2,3,6-trimethylphenoxy)propanoate IUPAC Name: (2S)-2-(4-bromo-2,3,6-trimethylphenoxy)propanoate Traditional Name: (2S)-2-(4-bromo-2,3,6-trimethyl-phenoxy)propionate Formula: C12H14BrO3- MolecularWeight: 286.14176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC(C)C(=O)[O-])C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1O[C@@H](C)C(=O)[O-])C)C)Br

InChI

InChI=1S/C12H15BrO3/c1-6-5-10(13)7(2)8(3)11(6)16-9(4)12(14)15/h5,9H,1-4H3,(H,14,15)/p-1/t9-/m0/s1