sodium (E)-2-methyl-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: sodium (E)-2-methyl-3-oxidanylidene-but-1-en-1-olate Openeye Name: sodium (E)-2-methyl-3-oxo-but-1-en-1-olate CAS Name: sodium (E)-2-methyl-3-oxo-1-buten-1-olate IUPAC Name: sodium (E)-2-methyl-3-oxobut-1-en-1-olate Traditional Name: sodium (E)-3-keto-2-methyl-but-1-en-1-olate Formula: C5H7NaO2 MolecularWeight: 122.09765

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C[O-])C(=O)C.[Na+]

Isomeric SMILES

C/C(=C\[O-])/C(=O)C.[Na+]

InChI

InChI=1S/C5H8O2.Na/c1-4(3-6)5(2)7;/h3,6H,1-2H3;/q;+1/p-1/b4-3+;