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

Systemtic Name: (2S)-2-(2-bromanyl-4-propyl-phenoxy)-2-phenyl-ethanoate Openeye Name: (2S)-2-(2-bromo-4-propyl-phenoxy)-2-phenyl-acetate CAS Name: (2S)-2-(2-bromo-4-propylphenoxy)-2-phenylacetate IUPAC Name: (2S)-2-(2-bromo-4-propylphenoxy)-2-phenylacetate Traditional Name: (2S)-2-(2-bromo-4-propyl-phenoxy)-2-phenyl-acetate Formula: C17H16BrO3- MolecularWeight: 348.21114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OC(C2=CC=CC=C2)C(=O)[O-])Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)O[C@@H](C2=CC=CC=C2)C(=O)[O-])Br

InChI

InChI=1S/C17H17BrO3/c1-2-6-12-9-10-15(14(18)11-12)21-16(17(19)20)13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3,(H,19,20)/p-1/t16-/m0/s1