methyl 2-(2-methyl-6-oxidanylidene-heptan-2-yl)cycloprop-2-ene-1-carboxylate

Systemtic Name: methyl 2-(2-methyl-6-oxidanylidene-heptan-2-yl)cycloprop-2-ene-1-carboxylate Openeye Name: methyl 2-(1,1-dimethyl-5-oxo-hexyl)cycloprop-2-ene-1-carboxylate CAS Name: 2-(2-methyl-6-oxoheptan-2-yl)-1-cycloprop-2-enecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methyl-6-oxoheptan-2-yl)cycloprop-2-ene-1-carboxylate Traditional Name: 2-(5-keto-1,1-dimethyl-hexyl)cycloprop-2-ene-1-carboxylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC(C)(C)C1=CC1C(=O)OC

Isomeric SMILES

CC(=O)CCCC(C)(C)C1=CC1C(=O)OC

InChI

InChI=1S/C13H20O3/c1-9(14)6-5-7-13(2,3)11-8-10(11)12(15)16-4/h8,10H,5-7H2,1-4H3