sodium 2-[1,3-bis(sulfanyl)propan-2-ylsulfanyl]ethanesulfonate

Systemtic Name: sodium 2-[1,3-bis(sulfanyl)propan-2-ylsulfanyl]ethanesulfonate Openeye Name: sodium 2-[2-sulfanyl-1-(sulfanylmethyl)ethyl]sulfanylethanesulfonate CAS Name: sodium 2-(1,3-dimercaptopropan-2-ylthio)ethanesulfonate IUPAC Name: sodium 2-[1,3-bis(sulfanyl)propan-2-ylsulfanyl]ethanesulfonate Traditional Name: sodium 2-[[2-mercapto-1-(mercaptomethyl)ethyl]thio]ethanesulfonate Formula: C5H11NaO3S4 MolecularWeight: 270.38881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CS(=O)(=O)[O-])SC(CS)CS.[Na+]

Isomeric SMILES

C(CS(=O)(=O)[O-])SC(CS)CS.[Na+]

InChI

InChI=1S/C5H12O3S4.Na/c6-12(7,8)2-1-11-5(3-9)4-10;/h5,9-10H,1-4H2,(H,6,7,8);/q;+1/p-1