methyl 5-oxidanylidene-2-(2,3,4,7-tetrahydrooxepin-2-yl)cyclopentene-1-carboxylate

Systemtic Name: methyl 5-oxidanylidene-2-(2,3,4,7-tetrahydrooxepin-2-yl)cyclopentene-1-carboxylate Openeye Name: methyl 5-oxo-2-(2,3,4,7-tetrahydrooxepin-2-yl)cyclopentene-1-carboxylate CAS Name: 5-oxo-2-(2,3,4,7-tetrahydrooxepin-2-yl)-1-cyclopentenecarboxylic acid methyl ester IUPAC Name: methyl 5-oxo-2-(2,3,4,7-tetrahydrooxepin-2-yl)cyclopentene-1-carboxylate Traditional Name: 5-keto-2-(2,3,4,7-tetrahydrooxepin-2-yl)cyclopentene-1-carboxylic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCC1=O)C2CCC=CCO2

Isomeric SMILES

COC(=O)C1=C(CCC1=O)C2CCC=CCO2

InChI

InChI=1S/C13H16O4/c1-16-13(15)12-9(6-7-10(12)14)11-5-3-2-4-8-17-11/h2,4,11H,3,5-8H2,1H3