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

Systemtic Name: 3-[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoate Openeye Name: 3-[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]propanoate CAS Name: 3-[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoate IUPAC Name: 3-[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoate Traditional Name: 3-[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]propionate Formula: C17H24BrO3- MolecularWeight: 356.27466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrO3/c1-16(2,3)11-17(4,5)12-6-7-14(13(18)10-12)21-9-8-15(19)20/h6-7,10H,8-9,11H2,1-5H3,(H,19,20)/p-1