hexyl 4-methylbenzoate

Systemtic Name: hexyl 4-methylbenzoate Openeye Name: hexyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid hexyl ester IUPAC Name: hexyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid hexyl ester Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2/c1-3-4-5-6-11-16-14(15)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3