(2S)-2-(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)-2-phenyl-ethanoate

Systemtic Name: (2S)-2-(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)-2-phenyl-ethanoate Openeye Name: (2S)-2-(2-bromo-6-tert-butyl-4-ethyl-phenoxy)-2-phenyl-acetate CAS Name: (2S)-2-(2-bromo-6-tert-butyl-4-ethylphenoxy)-2-phenylacetate IUPAC Name: (2S)-2-(2-bromo-6-tert-butyl-4-ethylphenoxy)-2-phenylacetate Traditional Name: (2S)-2-(2-bromo-6-tert-butyl-4-ethyl-phenoxy)-2-phenyl-acetate Formula: C20H22BrO3- MolecularWeight: 390.29088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)Br)OC(C2=CC=CC=C2)C(=O)[O-])C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)Br)O[C@@H](C2=CC=CC=C2)C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C20H23BrO3/c1-5-13-11-15(20(2,3)4)18(16(21)12-13)24-17(19(22)23)14-9-7-6-8-10-14/h6-12,17H,5H2,1-4H3,(H,22,23)/p-1/t17-/m0/s1