methyl 7-oxidanylidene-1-(3-oxidanylidenebutyl)cyclohept-2-ene-1-carboxylate

Systemtic Name: methyl 7-oxidanylidene-1-(3-oxidanylidenebutyl)cyclohept-2-ene-1-carboxylate Openeye Name: methyl 7-oxo-1-(3-oxobutyl)cyclohept-2-ene-1-carboxylate CAS Name: 7-oxo-1-(3-oxobutyl)-1-cyclohept-2-enecarboxylic acid methyl ester IUPAC Name: methyl 7-oxo-1-(3-oxobutyl)cyclohept-2-ene-1-carboxylate Traditional Name: 7-keto-1-(3-ketobutyl)cyclohept-2-ene-1-carboxylic acid methyl ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C=CCCCC1=O)C(=O)OC

Isomeric SMILES

CC(=O)CCC1(C=CCCCC1=O)C(=O)OC

InChI

InChI=1S/C13H18O4/c1-10(14)7-9-13(12(16)17-2)8-5-3-4-6-11(13)15/h5,8H,3-4,6-7,9H2,1-2H3