3-(2-dodecylphenyl)-2-sulfanylidene-propanoic acid

Systemtic Name: 3-(2-dodecylphenyl)-2-sulfanylidene-propanoic acid Openeye Name: 3-(2-dodecylphenyl)-2-thioxo-propanoic acid CAS Name: 3-(2-dodecylphenyl)-2-sulfanylidenepropanoic acid IUPAC Name: 3-(2-dodecylphenyl)-2-sulfanylidenepropanoic acid Traditional Name: 3-(2-laurylphenyl)-2-thioxo-propionic acid Formula: C21H32O2S MolecularWeight: 348.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1CC(=S)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1CC(=S)C(=O)O

InChI

InChI=1S/C21H32O2S/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)17-20(24)21(22)23/h12-13,15-16H,2-11,14,17H2,1H3,(H,22,23)