(5-methyl-4-oxidanylidene-hex-5-en-3-yl) hydrogen sulfate

Systemtic Name: (5-methyl-4-oxidanylidene-hex-5-en-3-yl) hydrogen sulfate Openeye Name: (1-ethyl-3-methyl-2-oxo-but-3-enyl) hydrogen sulfate CAS Name: sulfuric acid (5-methyl-4-oxohex-5-en-3-yl) ester IUPAC Name: (5-methyl-4-oxohex-5-en-3-yl) hydrogen sulfate Traditional Name: sulfuric acid (1-ethyl-2-keto-3-methyl-but-3-enyl) ester Formula: C7H12O5S MolecularWeight: 208.23218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=C)C)OS(=O)(=O)O

Isomeric SMILES

CCC(C(=O)C(=C)C)OS(=O)(=O)O

InChI

InChI=1S/C7H12O5S/c1-4-6(7(8)5(2)3)12-13(9,10)11/h6H,2,4H2,1,3H3,(H,9,10,11)