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

Systemtic Name: (2S)-2-(2-bromanyl-6-tert-butyl-4-methyl-phenoxy)-2-phenyl-ethanoate Openeye Name: (2S)-2-(2-bromo-6-tert-butyl-4-methyl-phenoxy)-2-phenyl-acetate CAS Name: (2S)-2-(2-bromo-6-tert-butyl-4-methylphenoxy)-2-phenylacetate IUPAC Name: (2S)-2-(2-bromo-6-tert-butyl-4-methylphenoxy)-2-phenylacetate Traditional Name: (2S)-2-(2-bromo-6-tert-butyl-4-methyl-phenoxy)-2-phenyl-acetate Formula: C19H20BrO3- MolecularWeight: 376.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrO3/c1-12-10-14(19(2,3)4)17(15(20)11-12)23-16(18(21)22)13-8-6-5-7-9-13/h5-11,16H,1-4H3,(H,21,22)/p-1/t16-/m0/s1