pentan-2-yl cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: pentan-2-yl cyclohexa-1,3-diene-1-carboxylate Openeye Name: 1-methylbutyl cyclohexa-1,3-diene-1-carboxylate CAS Name: 1-cyclohexa-1,3-dienecarboxylic acid pentan-2-yl ester IUPAC Name: pentan-2-yl cyclohexa-1,3-diene-1-carboxylate Traditional Name: cyclohexa-1,3-diene-1-carboxylic acid 1-methylbutyl ester Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O2/c1-3-7-10(2)14-12(13)11-8-5-4-6-9-11/h4-5,8,10H,3,6-7,9H2,1-2H3