octane; (5-sulfooxy-1,3,4-thiadiazol-2-yl) hydrogen sulfate

Systemtic Name: octane; (5-sulfooxy-1,3,4-thiadiazol-2-yl) hydrogen sulfate Openeye Name: octane; (5-sulfooxy-1,3,4-thiadiazol-2-yl) hydrogen sulfate CAS Name: octane; sulfuric acid (5-sulfooxy-1,3,4-thiadiazol-2-yl) ester IUPAC Name: octane; (5-sulfooxy-1,3,4-thiadiazol-2-yl) hydrogen sulfate Traditional Name: n-octane; sulfuric acid (5-sulfoxy-1,3,4-thiadiazol-2-yl) ester Formula: C10H20N2O8S3 MolecularWeight: 392.4694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.C1(=NN=C(S1)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCC.C1(=NN=C(S1)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C8H18.C2H2N2O8S3/c1-3-5-7-8-6-4-2;5-14(6,7)11-1-3-4-2(13-1)12-15(8,9)10/h3-8H2,1-2H3;(H,5,6,7)(H,8,9,10)