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

Systemtic Name: 3-[1-(2-carboxyethylsulfanyl)undec-2-ynylsulfanyl]propanoic acid Openeye Name: 3-[1-(2-carboxyethylsulfanyl)undec-2-ynylsulfanyl]propanoic acid CAS Name: 3-[1-(2-carboxyethylthio)undec-2-ynylthio]propanoic acid IUPAC Name: 3-[1-(2-carboxyethylsulfanyl)undec-2-ynylsulfanyl]propanoic acid Traditional Name: 3-[1-(2-carboxyethylthio)undec-2-ynylthio]propionic acid Formula: C17H28O4S2 MolecularWeight: 360.53182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCC#CC(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C17H28O4S2/c1-2-3-4-5-6-7-8-9-10-17(22-13-11-15(18)19)23-14-12-16(20)21/h17H,2-8,11-14H2,1H3,(H,18,19)(H,20,21)