13-hexylsulfanyltridec-2-ynoic acid

Systemtic Name: 13-hexylsulfanyltridec-2-ynoic acid Openeye Name: 13-hexylsulfanyltridec-2-ynoic acid CAS Name: 13-(hexylthio)-2-tridecynoic acid IUPAC Name: 13-hexylsulfanyltridec-2-ynoic acid Traditional Name: 13-(hexylthio)tridec-2-ynoic acid Formula: C19H34O2S MolecularWeight: 326.53706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCCCCCCCCCC#CC(=O)O

Isomeric SMILES

CCCCCCSCCCCCCCCCCC#CC(=O)O

InChI

InChI=1S/C19H34O2S/c1-2-3-4-14-17-22-18-15-12-10-8-6-5-7-9-11-13-16-19(20)21/h2-12,14-15,17-18H2,1H3,(H,20,21)