3-[[5-(3-sulfopropoxymethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethoxy]propane-1-sulfonic acid

Systemtic Name: 3-[[5-(3-sulfopropoxymethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethoxy]propane-1-sulfonic acid Openeye Name: 3-[[5-(3-sulfopropoxymethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethoxy]propane-1-sulfonic acid CAS Name: 3-[[[5-(3-sulfopropoxymethylthio)-1,3,4-thiadiazol-2-yl]thio]methoxy]-1-propanesulfonic acid IUPAC Name: 3-[[5-(3-sulfopropoxymethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethoxy]propane-1-sulfonic acid Traditional Name: 3-[[[5-(3-sulfopropoxymethylthio)-1,3,4-thiadiazol-2-yl]thio]methoxy]propane-1-sulfonic acid Formula: C10H18N2O8S5 MolecularWeight: 454.58352

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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)