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

Systemtic Name: 3-(2-dodecylphenyl)-3-ethylsulfanyl-propanoic acid Openeye Name: 3-(2-dodecylphenyl)-3-ethylsulfanyl-propanoic acid CAS Name: 3-(2-dodecylphenyl)-3-(ethylthio)propanoic acid IUPAC Name: 3-(2-dodecylphenyl)-3-ethylsulfanylpropanoic acid Traditional Name: 3-(ethylthio)-3-(2-laurylphenyl)propionic acid Formula: C23H38O2S MolecularWeight: 378.61162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(CC(=O)O)SCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(CC(=O)O)SCC

InChI

InChI=1S/C23H38O2S/c1-3-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)22(26-4-2)19-23(24)25/h14-15,17-18,22H,3-13,16,19H2,1-2H3,(H,24,25)