5-(4-chloranyl-2,6-dimethyl-phenoxy)pentanoate

Systemtic Name: 5-(4-chloranyl-2,6-dimethyl-phenoxy)pentanoate Openeye Name: 5-(4-chloro-2,6-dimethyl-phenoxy)pentanoate CAS Name: 5-(4-chloro-2,6-dimethylphenoxy)pentanoate IUPAC Name: 5-(4-chloro-2,6-dimethylphenoxy)pentanoate Traditional Name: 5-(4-chloro-2,6-dimethyl-phenoxy)valerate Formula: C13H16ClO3- MolecularWeight: 255.71734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCCC(=O)[O-])C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCCCCC(=O)[O-])C)Cl

InChI

InChI=1S/C13H17ClO3/c1-9-7-11(14)8-10(2)13(9)17-6-4-3-5-12(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)/p-1