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

Systemtic Name: 3-[2-[[5-[2-(3-sulfonatopropoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]propane-1-sulfonate Openeye Name: 3-[2-[[5-[2-(3-sulfonatopropoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]propane-1-sulfonate CAS Name: 3-[2-[[5-[2-(3-sulfonatopropoxy)ethylthio]-1,3,4-thiadiazol-2-yl]thio]ethoxy]-1-propanesulfonate IUPAC Name: 3-[2-[[5-[2-(3-sulfonatopropoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]propane-1-sulfonate Traditional Name: 3-[2-[[5-[2-(3-sulfonatopropoxy)ethylthio]-1,3,4-thiadiazol-2-yl]thio]ethoxy]propane-1-sulfonate Formula: C12H20N2O8S5-2 MolecularWeight: 480.6208

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Descriptors Computed from Structure

Canonical SMILES:

C(COCCSC1=NN=C(S1)SCCOCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

Isomeric SMILES

C(COCCSC1=NN=C(S1)SCCOCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

InChI

InChI=1S/C12H22N2O8S5/c15-26(16,17)9-1-3-21-5-7-23-11-13-14-12(25-11)24-8-6-22-4-2-10-27(18,19)20/h1-10H2,(H,15,16,17)(H,18,19,20)/p-2