(E)-3-(4-butanoylphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-butanoylphenyl)prop-2-enoic acid Openeye Name: (E)-3-(4-butanoylphenyl)prop-2-enoic acid CAS Name: (E)-3-[4-(1-oxobutyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-butanoylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-butyrylphenyl)acrylic acid Formula: C13H14O3 MolecularWeight: 218.24846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C13H14O3/c1-2-3-12(14)11-7-4-10(5-8-11)6-9-13(15)16/h4-9H,2-3H2,1H3,(H,15,16)/b9-6+