(2S)-2-(4-bromanyl-2-methyl-phenoxy)-2-phenyl-ethanoate

Systemtic Name: (2S)-2-(4-bromanyl-2-methyl-phenoxy)-2-phenyl-ethanoate Openeye Name: (2S)-2-(4-bromo-2-methyl-phenoxy)-2-phenyl-acetate CAS Name: (2S)-2-(4-bromo-2-methylphenoxy)-2-phenylacetate IUPAC Name: (2S)-2-(4-bromo-2-methylphenoxy)-2-phenylacetate Traditional Name: (2S)-2-(4-bromo-2-methyl-phenoxy)-2-phenyl-acetate Formula: C15H12BrO3- MolecularWeight: 320.15798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrO3/c1-10-9-12(16)7-8-13(10)19-14(15(17)18)11-5-3-2-4-6-11/h2-9,14H,1H3,(H,17,18)/p-1/t14-/m0/s1