4-(4-bromanyl-2,3,5-trimethyl-phenoxy)butanoic acid

Systemtic Name: 4-(4-bromanyl-2,3,5-trimethyl-phenoxy)butanoic acid Openeye Name: 4-(4-bromo-2,3,5-trimethyl-phenoxy)butanoic acid CAS Name: 4-(4-bromo-2,3,5-trimethylphenoxy)butanoic acid IUPAC Name: 4-(4-bromo-2,3,5-trimethylphenoxy)butanoic acid Traditional Name: 4-(4-bromo-2,3,5-trimethyl-phenoxy)butyric acid Formula: C13H17BrO3 MolecularWeight: 301.17628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Br)C)C)OCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1Br)C)C)OCCCC(=O)O

InChI

InChI=1S/C13H17BrO3/c1-8-7-11(9(2)10(3)13(8)14)17-6-4-5-12(15)16/h7H,4-6H2,1-3H3,(H,15,16)