diethyl sulfate; (Z)-5-(dimethylamino)-2-methyl-pent-2-enoic acid

Systemtic Name: diethyl sulfate; (Z)-5-(dimethylamino)-2-methyl-pent-2-enoic acid Openeye Name: diethyl sulfate; (Z)-5-(dimethylamino)-2-methyl-pent-2-enoic acid CAS Name: (Z)-5-(dimethylamino)-2-methyl-2-pentenoic acid; sulfuric acid diethyl ester IUPAC Name: diethyl sulfate; (Z)-5-(dimethylamino)-2-methylpent-2-enoic acid Traditional Name: (Z)-5-(dimethylamino)-2-methyl-pent-2-enoic acid; sulfuric acid diethyl ester Formula: C12H25NO6S MolecularWeight: 311.395

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)OCC.CC(=CCCN(C)C)C(=O)O

Isomeric SMILES

CCOS(=O)(=O)OCC.C/C(=C/CCN(C)C)/C(=O)O

InChI

InChI=1S/C8H15NO2.C4H10O4S/c1-7(8(10)11)5-4-6-9(2)3;1-3-7-9(5,6)8-4-2/h5H,4,6H2,1-3H3,(H,10,11);3-4H2,1-2H3/b7-5-;