3-[4-(2,3,5-trimethylphenoxy)phenyl]propanoate

Systemtic Name: 3-[4-(2,3,5-trimethylphenoxy)phenyl]propanoate Openeye Name: 3-[4-(2,3,5-trimethylphenoxy)phenyl]propanoate CAS Name: 3-[4-(2,3,5-trimethylphenoxy)phenyl]propanoate IUPAC Name: 3-[4-(2,3,5-trimethylphenoxy)phenyl]propanoate Traditional Name: 3-[4-(2,3,5-trimethylphenoxy)phenyl]propionate Formula: C18H19O3- MolecularWeight: 283.34166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)CCC(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)CCC(=O)[O-])C)C

InChI

InChI=1S/C18H20O3/c1-12-10-13(2)14(3)17(11-12)21-16-7-4-15(5-8-16)6-9-18(19)20/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20)/p-1