6-[3,4-bis(chloranyl)-2-pentyl-phenoxy]hexanoic acid

Systemtic Name: 6-[3,4-bis(chloranyl)-2-pentyl-phenoxy]hexanoic acid Openeye Name: 6-(3,4-dichloro-2-pentyl-phenoxy)hexanoic acid CAS Name: 6-(3,4-dichloro-2-pentylphenoxy)hexanoic acid IUPAC Name: 6-(3,4-dichloro-2-pentylphenoxy)hexanoic acid Traditional Name: 6-(2-amyl-3,4-dichloro-phenoxy)hexanoic acid Formula: C17H24Cl2O3 MolecularWeight: 347.27666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1Cl)Cl)OCCCCCC(=O)O

Isomeric SMILES

CCCCCC1=C(C=CC(=C1Cl)Cl)OCCCCCC(=O)O

InChI

InChI=1S/C17H24Cl2O3/c1-2-3-5-8-13-15(11-10-14(18)17(13)19)22-12-7-4-6-9-16(20)21/h10-11H,2-9,12H2,1H3,(H,20,21)