3-[[5-(3-sulfonatopropoxymethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethoxy]propane-1-sulfonate

Systemtic Name: 3-[[5-(3-sulfonatopropoxymethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethoxy]propane-1-sulfonate Openeye Name: 3-[[5-(3-sulfonatopropoxymethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethoxy]propane-1-sulfonate CAS Name: 3-[[[5-(3-sulfonatopropoxymethylthio)-1,3,4-thiadiazol-2-yl]thio]methoxy]-1-propanesulfonate IUPAC Name: 3-[[5-(3-sulfonatopropoxymethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethoxy]propane-1-sulfonate Traditional Name: 3-[[[5-(3-sulfonatopropoxymethylthio)-1,3,4-thiadiazol-2-yl]thio]methoxy]propane-1-sulfonate Formula: C10H16N2O8S5-2 MolecularWeight: 452.56764

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Descriptors Computed from Structure

Canonical SMILES:

C(COCSC1=NN=C(S1)SCOCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

Isomeric SMILES

C(COCSC1=NN=C(S1)SCOCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

InChI

InChI=1S/C10H18N2O8S5/c13-24(14,15)5-1-3-19-7-21-9-11-12-10(23-9)22-8-20-4-2-6-25(16,17)18/h1-8H2,(H,13,14,15)(H,16,17,18)/p-2