2-(2-cyanoethylsulfanyl)-2-(2-dodecylphenyl)ethanoic acid

Systemtic Name: 2-(2-cyanoethylsulfanyl)-2-(2-dodecylphenyl)ethanoic acid Openeye Name: 2-(2-cyanoethylsulfanyl)-2-(2-dodecylphenyl)acetic acid CAS Name: 2-(2-cyanoethylthio)-2-(2-dodecylphenyl)acetic acid IUPAC Name: 2-(2-cyanoethylsulfanyl)-2-(2-dodecylphenyl)acetic acid Traditional Name: 2-(2-cyanoethylthio)-2-(2-laurylphenyl)acetic acid Formula: C23H35NO2S MolecularWeight: 389.5945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SCCC#N

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SCCC#N

InChI

InChI=1S/C23H35NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-12-13-17-21(20)22(23(25)26)27-19-14-18-24/h12-13,16-17,22H,2-11,14-15,19H2,1H3,(H,25,26)