5-(3,5-dimethylphenoxy)pentanoate

Systemtic Name: 5-(3,5-dimethylphenoxy)pentanoate Openeye Name: 5-(3,5-dimethylphenoxy)pentanoate CAS Name: 5-(3,5-dimethylphenoxy)pentanoate IUPAC Name: 5-(3,5-dimethylphenoxy)pentanoate Traditional Name: 5-(3,5-dimethylphenoxy)valerate Formula: C13H17O3- MolecularWeight: 221.27228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCCC(=O)[O-])C

InChI

InChI=1S/C13H18O3/c1-10-7-11(2)9-12(8-10)16-6-4-3-5-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)/p-1