2-[4-(3-oxidanylidenebutyl)phenyl]propanoic acid

Systemtic Name: 2-[4-(3-oxidanylidenebutyl)phenyl]propanoic acid Openeye Name: 2-[4-(3-oxobutyl)phenyl]propanoic acid CAS Name: 2-[4-(3-oxobutyl)phenyl]propanoic acid IUPAC Name: 2-[4-(3-oxobutyl)phenyl]propanoic acid Traditional Name: 2-[4-(3-ketobutyl)phenyl]propionic acid Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CCC(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)CCC(=O)C)C(=O)O

InChI

InChI=1S/C13H16O3/c1-9(14)3-4-11-5-7-12(8-6-11)10(2)13(15)16/h5-8,10H,3-4H2,1-2H3,(H,15,16)