3-[2-bromanyl-4-(2-methylbutan-2-yl)phenoxy]propanoate

Systemtic Name: 3-[2-bromanyl-4-(2-methylbutan-2-yl)phenoxy]propanoate Openeye Name: 3-[2-bromo-4-(1,1-dimethylpropyl)phenoxy]propanoate CAS Name: 3-[2-bromo-4-(2-methylbutan-2-yl)phenoxy]propanoate IUPAC Name: 3-[2-bromo-4-(2-methylbutan-2-yl)phenoxy]propanoate Traditional Name: 3-(4-tert-amyl-2-bromo-phenoxy)propionate Formula: C14H18BrO3- MolecularWeight: 314.19492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCC(=O)[O-])Br

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCC(=O)[O-])Br

InChI

InChI=1S/C14H19BrO3/c1-4-14(2,3)10-5-6-12(11(15)9-10)18-8-7-13(16)17/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)/p-1