tert-butyl 3-oxidanylidenebutanoate; pyridin-1-ium; chloride

Systemtic Name: tert-butyl 3-oxidanylidenebutanoate; pyridin-1-ium; chloride Openeye Name: tert-butyl 3-oxobutanoate; pyridin-1-ium; chloride CAS Name: 3-oxobutanoic acid tert-butyl ester; pyridin-1-ium; chloride IUPAC Name: tert-butyl 3-oxobutanoate; pyridin-1-ium; chloride Traditional Name: 3-ketobutyric acid tert-butyl ester; pyridin-1-ium; chloride Formula: C13H20ClNO3 MolecularWeight: 273.7558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC(C)(C)C.C1=CC=[NH+]C=C1.[Cl-]

Isomeric SMILES

CC(=O)CC(=O)OC(C)(C)C.C1=CC=[NH+]C=C1.[Cl-]

InChI

InChI=1S/C8H14O3.C5H5N.ClH/c1-6(9)5-7(10)11-8(2,3)4;1-2-4-6-5-3-1;/h5H2,1-4H3;1-5H;1H