5-(2-chloranyl-5-methyl-phenoxy)pentanoic acid

Systemtic Name: 5-(2-chloranyl-5-methyl-phenoxy)pentanoic acid Openeye Name: 5-(2-chloro-5-methyl-phenoxy)pentanoic acid CAS Name: 5-(2-chloro-5-methylphenoxy)pentanoic acid IUPAC Name: 5-(2-chloro-5-methylphenoxy)pentanoic acid Traditional Name: 5-(2-chloro-5-methyl-phenoxy)valeric acid Formula: C12H15ClO3 MolecularWeight: 242.6987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO3/c1-9-5-6-10(13)11(8-9)16-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)