propyl 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate

Systemtic Name: propyl 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate Openeye Name: propyl 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate CAS Name: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid propyl ester IUPAC Name: propyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate Traditional Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-valeric acid propyl ester Formula: C18H28O3 MolecularWeight: 292.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)(C)CCCOC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCCOC(=O)C(C)(C)CCCOC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C18H28O3/c1-6-11-21-17(19)18(4,5)10-7-12-20-16-13-14(2)8-9-15(16)3/h8-9,13H,6-7,10-12H2,1-5H3