hexyl benzoate

Systemtic Name: hexyl benzoate Openeye Name: hexyl benzoate CAS Name: benzoic acid hexyl ester IUPAC Name: hexyl benzoate Traditional Name: benzoic acid hexyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3