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

Systemtic Name: 3-[1-(2-carboxyethylsulfanyl)pentadec-2-ynylsulfanyl]propanoic acid Openeye Name: 3-[1-(2-carboxyethylsulfanyl)pentadec-2-ynylsulfanyl]propanoic acid CAS Name: 3-[1-(2-carboxyethylthio)pentadec-2-ynylthio]propanoic acid IUPAC Name: 3-[1-(2-carboxyethylsulfanyl)pentadec-2-ynylsulfanyl]propanoic acid Traditional Name: 3-[1-(2-carboxyethylthio)pentadec-2-ynylthio]propionic acid Formula: C21H36O4S2 MolecularWeight: 416.63814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC#CC(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C21H36O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(26-17-15-19(22)23)27-18-16-20(24)25/h21H,2-12,15-18H2,1H3,(H,22,23)(H,24,25)