3-[1-(2-carboxyethylsulfanyl)tridec-2-ynylsulfanyl]propanoic acid

Systemtic Name: 3-[1-(2-carboxyethylsulfanyl)tridec-2-ynylsulfanyl]propanoic acid Openeye Name: 3-[1-(2-carboxyethylsulfanyl)tridec-2-ynylsulfanyl]propanoic acid CAS Name: 3-[1-(2-carboxyethylthio)tridec-2-ynylthio]propanoic acid IUPAC Name: 3-[1-(2-carboxyethylsulfanyl)tridec-2-ynylsulfanyl]propanoic acid Traditional Name: 3-[1-(2-carboxyethylthio)tridec-2-ynylthio]propionic acid Formula: C19H32O4S2 MolecularWeight: 388.58498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC#CC(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C19H32O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-19(24-15-13-17(20)21)25-16-14-18(22)23/h19H,2-10,13-16H2,1H3,(H,20,21)(H,22,23)