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

Systemtic Name: dodecan-2-ol; (5-sulfooxy-1,3,4-thiadiazol-2-yl) hydrogen sulfate Openeye Name: dodecan-2-ol; (5-sulfooxy-1,3,4-thiadiazol-2-yl) hydrogen sulfate CAS Name: 2-dodecanol; sulfuric acid (5-sulfooxy-1,3,4-thiadiazol-2-yl) ester IUPAC Name: dodecan-2-ol; (5-sulfooxy-1,3,4-thiadiazol-2-yl) hydrogen sulfate Traditional Name: dodecan-2-ol; sulfuric acid (5-sulfoxy-1,3,4-thiadiazol-2-yl) ester Formula: C14H28N2O9S3 MolecularWeight: 464.57512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26O.C2H2N2O8S3/c1-3-4-5-6-7-8-9-10-11-12(2)13;5-14(6,7)11-1-3-4-2(13-1)12-15(8,9)10/h12-13H,3-11H2,1-2H3;(H,5,6,7)(H,8,9,10)