dimethyl (E)-4-oxidanylidenehept-2-enedioate

Systemtic Name: dimethyl (E)-4-oxidanylidenehept-2-enedioate Openeye Name: dimethyl (E)-4-oxohept-2-enedioate CAS Name: (E)-4-oxo-2-heptenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-4-oxohept-2-enedioate Traditional Name: (E)-4-ketohept-2-enedioic acid dimethyl ester Formula: C9H12O5 MolecularWeight: 200.18858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C=CC(=O)OC

Isomeric SMILES

COC(=O)CCC(=O)/C=C/C(=O)OC

InChI

InChI=1S/C9H12O5/c1-13-8(11)5-3-7(10)4-6-9(12)14-2/h3,5H,4,6H2,1-2H3/b5-3+