butyl bicyclo[3.1.1]hepta-1(7),2,4-triene-6-carboxylate

Systemtic Name: butyl bicyclo[3.1.1]hepta-1(7),2,4-triene-6-carboxylate Openeye Name: butyl bicyclo[3.1.1]hepta-1(7),2,4-triene-6-carboxylate CAS Name: 6-bicyclo[3.1.1]hepta-1(7),2,4-trienecarboxylic acid butyl ester IUPAC Name: butyl bicyclo[3.1.1]hepta-1(7),2,4-triene-6-carboxylate Traditional Name: bicyclo[3.1.1]hepta-1(7),2,4-triene-6-carboxylic acid butyl ester Formula: C12H14O2 MolecularWeight: 190.23836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C2=CC1=CC=C2

Isomeric SMILES

CCCCOC(=O)C1C2=CC1=CC=C2

InChI

InChI=1S/C12H14O2/c1-2-3-7-14-12(13)11-9-5-4-6-10(11)8-9/h4-6,8,11H,2-3,7H2,1H3