hexyl 3,5-dimethylbenzoate

Systemtic Name: hexyl 3,5-dimethylbenzoate Openeye Name: hexyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid hexyl ester IUPAC Name: hexyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid hexyl ester Formula: C15H22O2 MolecularWeight: 234.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O2/c1-4-5-6-7-8-17-15(16)14-10-12(2)9-13(3)11-14/h9-11H,4-8H2,1-3H3