6-(2-azanylethylsulfanyl)icos-7-ynoic acid

Systemtic Name: 6-(2-azanylethylsulfanyl)icos-7-ynoic acid Openeye Name: 6-(2-aminoethylsulfanyl)icos-7-ynoic acid CAS Name: 6-(2-aminoethylthio)-7-eicosynoic acid IUPAC Name: 6-(2-aminoethylsulfanyl)icos-7-ynoic acid Traditional Name: 6-(2-aminoethylthio)eicos-7-ynoic acid Formula: C22H41NO2S MolecularWeight: 383.63144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(CCCCC(=O)O)SCCN

Isomeric SMILES

CCCCCCCCCCCCC#CC(CCCCC(=O)O)SCCN

InChI

InChI=1S/C22H41NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(26-20-19-23)17-14-15-18-22(24)25/h21H,2-12,14-15,17-20,23H2,1H3,(H,24,25)