(2S)-2-(4-bromanyl-2,3,5-trimethyl-phenoxy)-3-methyl-butanoate

Systemtic Name: (2S)-2-(4-bromanyl-2,3,5-trimethyl-phenoxy)-3-methyl-butanoate Openeye Name: (2S)-2-(4-bromo-2,3,5-trimethyl-phenoxy)-3-methyl-butanoate CAS Name: (2S)-2-(4-bromo-2,3,5-trimethylphenoxy)-3-methylbutanoate IUPAC Name: (2S)-2-(4-bromo-2,3,5-trimethylphenoxy)-3-methylbutanoate Traditional Name: (2S)-2-(4-bromo-2,3,5-trimethyl-phenoxy)-3-methyl-butyrate Formula: C14H18BrO3- MolecularWeight: 314.19492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Br)C)C)OC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1Br)C)C)O[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C14H19BrO3/c1-7(2)13(14(16)17)18-11-6-8(3)12(15)10(5)9(11)4/h6-7,13H,1-5H3,(H,16,17)/p-1/t13-/m0/s1