2-methylidene-3-oxidanylidene-icosanoic acid

Systemtic Name: 2-methylidene-3-oxidanylidene-icosanoic acid Openeye Name: 2-methylene-3-oxo-icosanoic acid CAS Name: 2-methylene-3-oxoeicosanoic acid IUPAC Name: 2-methylidene-3-oxoicosanoic acid Traditional Name: 2-stearoylacrylic acid Formula: C21H38O3 MolecularWeight: 338.52462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(=C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(=C)C(=O)O

InChI

InChI=1S/C21H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19(2)21(23)24/h2-18H2,1H3,(H,23,24)