4-[2-bromanyl-4-(2-methylbutan-2-yl)phenoxy]butanoate

Systemtic Name: 4-[2-bromanyl-4-(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: 4-[2-bromo-4-(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[2-bromo-4-(2-methylbutan-2-yl)phenoxy]butanoate IUPAC Name: 4-[2-bromo-4-(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(4-tert-amyl-2-bromo-phenoxy)butyrate Formula: C15H20BrO3- MolecularWeight: 328.2215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrO3/c1-4-15(2,3)11-7-8-13(12(16)10-11)19-9-5-6-14(17)18/h7-8,10H,4-6,9H2,1-3H3,(H,17,18)/p-1