4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate

Systemtic Name: 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: 4-(2-bromo-4-isopropyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-propan-2-ylphenoxy)butanoate IUPAC Name: 4-(2-bromo-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)butyrate Formula: C13H16BrO3- MolecularWeight: 300.16834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrO3/c1-9(2)10-5-6-12(11(14)8-10)17-7-3-4-13(15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)/p-1