3-(diethylcarbamothioylsulfanyl)propane-1-sulfonic acid; sodium

Systemtic Name: 3-(diethylcarbamothioylsulfanyl)propane-1-sulfonic acid; sodium Openeye Name: 3-(diethylcarbamothioylsulfanyl)propane-1-sulfonic acid; sodium CAS Name: 3-[[diethylamino(sulfanylidene)methyl]thio]-1-propanesulfonic acid; sodium IUPAC Name: 3-(diethylcarbamothioylsulfanyl)propane-1-sulfonic acid; sodium Traditional Name: 3-(diethylthiocarbamoylthio)propane-1-sulfonic acid; sodium Formula: C8H17NNaO3S3 MolecularWeight: 294.41025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCCCS(=O)(=O)O.[Na]

Isomeric SMILES

CCN(CC)C(=S)SCCCS(=O)(=O)O.[Na]

InChI

InChI=1S/C8H17NO3S3.Na/c1-3-9(4-2)8(13)14-6-5-7-15(10,11)12;/h3-7H2,1-2H3,(H,10,11,12);