hexyl 1-methylcyclohexa-2,5-diene-1-carboxylate

Systemtic Name: hexyl 1-methylcyclohexa-2,5-diene-1-carboxylate Openeye Name: hexyl 1-methylcyclohexa-2,5-diene-1-carboxylate CAS Name: 1-methyl-1-cyclohexa-2,5-dienecarboxylic acid hexyl ester IUPAC Name: hexyl 1-methylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-methylcyclohexa-2,5-diene-1-carboxylic acid hexyl ester Formula: C14H22O2 MolecularWeight: 222.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1(C=CCC=C1)C

Isomeric SMILES

CCCCCCOC(=O)C1(C=CCC=C1)C

InChI

InChI=1S/C14H22O2/c1-3-4-5-9-12-16-13(15)14(2)10-7-6-8-11-14/h7-8,10-11H,3-6,9,12H2,1-2H3