4-(2,3,6-trimethylphenoxy)butanoic acid

Systemtic Name: 4-(2,3,6-trimethylphenoxy)butanoic acid Openeye Name: 4-(2,3,6-trimethylphenoxy)butanoic acid CAS Name: 4-(2,3,6-trimethylphenoxy)butanoic acid IUPAC Name: 4-(2,3,6-trimethylphenoxy)butanoic acid Traditional Name: 4-(2,3,6-trimethylphenoxy)butyric acid Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCCC(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCCCC(=O)O)C

InChI

InChI=1S/C13H18O3/c1-9-6-7-10(2)13(11(9)3)16-8-4-5-12(14)15/h6-7H,4-5,8H2,1-3H3,(H,14,15)