2-methylbutyl cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 2-methylbutyl cyclohexa-1,5-diene-1-carboxylate Openeye Name: 2-methylbutyl cyclohexa-1,5-diene-1-carboxylate CAS Name: 1-cyclohexa-1,5-dienecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl cyclohexa-1,5-diene-1-carboxylate Traditional Name: cyclohexa-1,5-diene-1-carboxylic acid 2-methylbutyl ester Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=CCCC=C1

Isomeric SMILES

CCC(C)COC(=O)C1=CCCC=C1

InChI

InChI=1S/C12H18O2/c1-3-10(2)9-14-12(13)11-7-5-4-6-8-11/h5,7-8,10H,3-4,6,9H2,1-2H3