3-oxidanylidenebutanoic acid; pyridin-1-ium; chloride

Systemtic Name: 3-oxidanylidenebutanoic acid; pyridin-1-ium; chloride Openeye Name: 3-oxobutanoic acid; pyridin-1-ium; chloride CAS Name: 3-oxobutanoic acid; pyridin-1-ium; chloride IUPAC Name: 3-oxobutanoic acid; pyridin-1-ium; chloride Traditional Name: acetoacetic acid; pyridin-1-ium; chloride Formula: C9H12ClNO3 MolecularWeight: 217.64948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5N.C4H6O3.ClH/c1-2-4-6-5-3-1;1-3(5)2-4(6)7;/h1-5H;2H2,1H3,(H,6,7);1H