5-(2,6-dimethylphenoxy)-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-(2,6-dimethylphenoxy)-2,2-dimethyl-pentanoic acid Openeye Name: 5-(2,6-dimethylphenoxy)-2,2-dimethyl-pentanoic acid CAS Name: 5-(2,6-dimethylphenoxy)-2,2-dimethylpentanoic acid IUPAC Name: 5-(2,6-dimethylphenoxy)-2,2-dimethylpentanoic acid Traditional Name: 5-(2,6-dimethylphenoxy)-2,2-dimethyl-valeric acid Formula: C15H22O3 MolecularWeight: 250.33338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3/c1-11-7-5-8-12(2)13(11)18-10-6-9-15(3,4)14(16)17/h5,7-8H,6,9-10H2,1-4H3,(H,16,17)