methyl 5-(2-methylpropanoyl)cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: methyl 5-(2-methylpropanoyl)cyclohexa-1,5-diene-1-carboxylate Openeye Name: methyl 5-(2-methylpropanoyl)cyclohexa-1,5-diene-1-carboxylate CAS Name: 5-(2-methyl-1-oxopropyl)-1-cyclohexa-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 5-(2-methylpropanoyl)cyclohexa-1,5-diene-1-carboxylate Traditional Name: 5-isobutyrylcyclohexa-1,5-diene-1-carboxylic acid methyl ester Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC(=CCC1)C(=O)OC

Isomeric SMILES

CC(C)C(=O)C1=CC(=CCC1)C(=O)OC

InChI

InChI=1S/C12H16O3/c1-8(2)11(13)9-5-4-6-10(7-9)12(14)15-3/h6-8H,4-5H2,1-3H3