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

Systemtic Name: 1-pyridin-4-ylethanol; (5-sulfooxy-1,3,4-thiadiazol-2-yl) hydrogen sulfate Openeye Name: 1-(4-pyridyl)ethanol; (5-sulfooxy-1,3,4-thiadiazol-2-yl) hydrogen sulfate CAS Name: 1-pyridin-4-ylethanol; sulfuric acid (5-sulfooxy-1,3,4-thiadiazol-2-yl) ester IUPAC Name: 1-pyridin-4-ylethanol; (5-sulfooxy-1,3,4-thiadiazol-2-yl) hydrogen sulfate Traditional Name: 1-(4-pyridyl)ethanol; sulfuric acid (5-sulfoxy-1,3,4-thiadiazol-2-yl) ester Formula: C9H11N3O9S3 MolecularWeight: 401.39334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)O.C1(=NN=C(S1)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(C1=CC=NC=C1)O.C1(=NN=C(S1)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C7H9NO.C2H2N2O8S3/c1-6(9)7-2-4-8-5-3-7;5-14(6,7)11-1-3-4-2(13-1)12-15(8,9)10/h2-6,9H,1H3;(H,5,6,7)(H,8,9,10)