3-[[5-(3-sulfonatopropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1-sulfonate

Systemtic Name: 3-[[5-(3-sulfonatopropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1-sulfonate Openeye Name: 3-[[5-(3-sulfonatopropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1-sulfonate CAS Name: 3-[[5-(3-sulfonatopropylthio)-1,3,4-thiadiazol-2-yl]thio]-1-propanesulfonate IUPAC Name: 3-[[5-(3-sulfonatopropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1-sulfonate Traditional Name: 3-[[5-(3-sulfonatopropylthio)-1,3,4-thiadiazol-2-yl]thio]propane-1-sulfonate Formula: C8H12N2O6S5-2 MolecularWeight: 392.51568

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Descriptors Computed from Structure

Canonical SMILES:

C(CSC1=NN=C(S1)SCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

Isomeric SMILES

C(CSC1=NN=C(S1)SCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

InChI

InChI=1S/C8H14N2O6S5/c11-20(12,13)5-1-3-17-7-9-10-8(19-7)18-4-2-6-21(14,15)16/h1-6H2,(H,11,12,13)(H,14,15,16)/p-2