ethyl 2-[(E)-but-2-enyl]-3-oxidanylidene-hept-6-enoate

Systemtic Name: ethyl 2-[(E)-but-2-enyl]-3-oxidanylidene-hept-6-enoate Openeye Name: ethyl 2-[(E)-but-2-enyl]-3-oxo-hept-6-enoate CAS Name: 2-[(E)-but-2-enyl]-3-oxo-6-heptenoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-but-2-enyl]-3-oxohept-6-enoate Traditional Name: 2-[(E)-but-2-enyl]-3-keto-hept-6-enoic acid ethyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CC)C(=O)CCC=C

Isomeric SMILES

CCOC(=O)C(C/C=C/C)C(=O)CCC=C

InChI

InChI=1S/C13H20O3/c1-4-7-9-11(13(15)16-6-3)12(14)10-8-5-2/h4-5,7,11H,2,6,8-10H2,1,3H3/b7-4+