ethyl 2-oxidanylidene-1-[(E)-3-oxidanylidenebut-1-enyl]cycloheptane-1-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-1-[(E)-3-oxidanylidenebut-1-enyl]cycloheptane-1-carboxylate Openeye Name: ethyl 2-oxo-1-[(E)-3-oxobut-1-enyl]cycloheptanecarboxylate CAS Name: 2-oxo-1-[(E)-3-oxobut-1-enyl]-1-cycloheptanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-1-[(E)-3-oxobut-1-enyl]cycloheptane-1-carboxylate Traditional Name: 2-keto-1-[(E)-3-ketobut-1-enyl]cycloheptanecarboxylic acid ethyl ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCCC1=O)C=CC(=O)C

Isomeric SMILES

CCOC(=O)C1(CCCCCC1=O)/C=C/C(=O)C

InChI

InChI=1S/C14H20O4/c1-3-18-13(17)14(10-8-11(2)15)9-6-4-5-7-12(14)16/h8,10H,3-7,9H2,1-2H3/b10-8+