2-[4-(2-propanoylhexyl)phenyl]propanoic acid

Systemtic Name: 2-[4-(2-propanoylhexyl)phenyl]propanoic acid Openeye Name: 2-[4-(2-propanoylhexyl)phenyl]propanoic acid CAS Name: 2-[4-[2-(1-oxopropyl)hexyl]phenyl]propanoic acid IUPAC Name: 2-[4-(2-propanoylhexyl)phenyl]propanoic acid Traditional Name: 2-[4-(2-propionylhexyl)phenyl]propionic acid Formula: C18H26O3 MolecularWeight: 290.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)CC

Isomeric SMILES

CCCCC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)CC

InChI

InChI=1S/C18H26O3/c1-4-6-7-16(17(19)5-2)12-14-8-10-15(11-9-14)13(3)18(20)21/h8-11,13,16H,4-7,12H2,1-3H3,(H,20,21)