1-(diethylcarbamothioylsulfanyl)-3-oxidanyl-propane-2-sulfonate

Systemtic Name: 1-(diethylcarbamothioylsulfanyl)-3-oxidanyl-propane-2-sulfonate Openeye Name: 1-(diethylcarbamothioylsulfanyl)-3-hydroxy-propane-2-sulfonate CAS Name: 1-[[diethylamino(sulfanylidene)methyl]thio]-3-hydroxy-2-propanesulfonate IUPAC Name: 1-(diethylcarbamothioylsulfanyl)-3-hydroxypropane-2-sulfonate Traditional Name: 1-(diethylthiocarbamoylthio)-3-hydroxy-propane-2-sulfonate Formula: C8H16NO4S3- MolecularWeight: 286.41194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(CO)S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SCC(CO)S(=O)(=O)[O-]

InChI

InChI=1S/C8H17NO4S3/c1-3-9(4-2)8(14)15-6-7(5-10)16(11,12)13/h7,10H,3-6H2,1-2H3,(H,11,12,13)/p-1