(E)-5-oxidanylidenehex-2-enoate; propan-2-one

Systemtic Name: (E)-5-oxidanylidenehex-2-enoate; propan-2-one Openeye Name: acetone; (E)-5-oxohex-2-enoate CAS Name: (E)-5-oxo-2-hexenoate; 2-propanone IUPAC Name: (E)-5-oxohex-2-enoate; propan-2-one Traditional Name: acetone; (E)-5-ketohex-2-enoate Formula: C9H13O4- MolecularWeight: 185.19712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C.CC(=O)C/C=C/C(=O)[O-]

InChI

InChI=1S/C6H8O3.C3H6O/c1-5(7)3-2-4-6(8)9;1-3(2)4/h2,4H,3H2,1H3,(H,8,9);1-2H3/p-1/b4-2+;