6-(2,5-dimethylpyrazol-3-yl)hexyl hydrogen sulfate

Systemtic Name: 6-(2,5-dimethylpyrazol-3-yl)hexyl hydrogen sulfate Openeye Name: 6-(2,5-dimethylpyrazol-3-yl)hexyl hydrogen sulfate CAS Name: sulfuric acid 6-(2,5-dimethyl-3-pyrazolyl)hexyl ester IUPAC Name: 6-(2,5-dimethylpyrazol-3-yl)hexyl hydrogen sulfate Traditional Name: sulfuric acid 6-(2,5-dimethylpyrazol-3-yl)hexyl ester Formula: C11H20N2O4S MolecularWeight: 276.3525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CCCCCCOS(=O)(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1)CCCCCCOS(=O)(=O)O)C

InChI

InChI=1S/C11H20N2O4S/c1-10-9-11(13(2)12-10)7-5-3-4-6-8-17-18(14,15)16/h9H,3-8H2,1-2H3,(H,14,15,16)