5-(2,5-dimethylphenyl)pentanoate

Systemtic Name: 5-(2,5-dimethylphenyl)pentanoate Openeye Name: 5-(2,5-dimethylphenyl)pentanoate CAS Name: 5-(2,5-dimethylphenyl)pentanoate IUPAC Name: 5-(2,5-dimethylphenyl)pentanoate Traditional Name: 5-(2,5-dimethylphenyl)valerate Formula: C13H17O2- MolecularWeight: 205.27288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2/c1-10-7-8-11(2)12(9-10)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)/p-1