3-chloranyl-5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoic acid

Systemtic Name: 3-chloranyl-5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoic acid Openeye Name: 3-chloro-5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoic acid CAS Name: 3-chloro-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid IUPAC Name: 3-chloro-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid Traditional Name: 3-chloro-5-(2,5-dimethylphenoxy)-2,2-dimethyl-valeric acid Formula: C15H21ClO3 MolecularWeight: 284.77844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(C(C)(C)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(C(C)(C)C(=O)O)Cl

InChI

InChI=1S/C15H21ClO3/c1-10-5-6-11(2)12(9-10)19-8-7-13(16)15(3,4)14(17)18/h5-6,9,13H,7-8H2,1-4H3,(H,17,18)