(2S)-2-(4-bromanyl-2-propan-2-yl-phenoxy)-3-methyl-butanoate

Systemtic Name: (2S)-2-(4-bromanyl-2-propan-2-yl-phenoxy)-3-methyl-butanoate Openeye Name: (2S)-2-(4-bromo-2-isopropyl-phenoxy)-3-methyl-butanoate CAS Name: (2S)-2-(4-bromo-2-propan-2-ylphenoxy)-3-methylbutanoate IUPAC Name: (2S)-2-(4-bromo-2-propan-2-ylphenoxy)-3-methylbutanoate Traditional Name: (2S)-2-(4-bromo-2-isopropyl-phenoxy)-3-methyl-butyrate Formula: C14H18BrO3- MolecularWeight: 314.19492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrO3/c1-8(2)11-7-10(15)5-6-12(11)18-13(9(3)4)14(16)17/h5-9,13H,1-4H3,(H,16,17)/p-1/t13-/m0/s1