methyl 2-[(3-oxidanylidenecyclohexen-1-yl)methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[(3-oxidanylidenecyclohexen-1-yl)methyl]furan-3-carboxylate Openeye Name: methyl 2-[(3-oxocyclohexen-1-yl)methyl]furan-3-carboxylate CAS Name: 2-[(3-oxo-1-cyclohexenyl)methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-oxocyclohexen-1-yl)methyl]furan-3-carboxylate Traditional Name: 2-[(3-ketocyclohexen-1-yl)methyl]furan-3-carboxylic acid methyl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CC2=CC(=O)CCC2

Isomeric SMILES

COC(=O)C1=C(OC=C1)CC2=CC(=O)CCC2

InChI

InChI=1S/C13H14O4/c1-16-13(15)11-5-6-17-12(11)8-9-3-2-4-10(14)7-9/h5-7H,2-4,8H2,1H3