1-(3-methyl-1,2-oxazol-4-yl)heptyl hydrogen sulfate

Systemtic Name: 1-(3-methyl-1,2-oxazol-4-yl)heptyl hydrogen sulfate Openeye Name: 1-(3-methylisoxazol-4-yl)heptyl hydrogen sulfate CAS Name: sulfuric acid 1-(3-methyl-4-isoxazolyl)heptyl ester IUPAC Name: 1-(3-methyl-1,2-oxazol-4-yl)heptyl hydrogen sulfate Traditional Name: sulfuric acid 1-(3-methylisoxazol-4-yl)heptyl ester Formula: C11H19NO5S MolecularWeight: 277.33726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CON=C1C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCC(C1=CON=C1C)OS(=O)(=O)O

InChI

InChI=1S/C11H19NO5S/c1-3-4-5-6-7-11(17-18(13,14)15)10-8-16-12-9(10)2/h8,11H,3-7H2,1-2H3,(H,13,14,15)