2-ethylbenzoate; hexyl benzoate

Systemtic Name: 2-ethylbenzoate; hexyl benzoate Openeye Name: 2-ethylbenzoate; hexyl benzoate CAS Name: benzoic acid hexyl ester; 2-ethylbenzoate IUPAC Name: 2-ethylbenzoate; hexyl benzoate Traditional Name: benzoic acid hexyl ester; 2-ethylbenzoate Formula: C22H27O4- MolecularWeight: 355.44738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1.CCC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1.CCC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C13H18O2.C9H10O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12;1-2-7-5-3-4-6-8(7)9(10)11/h5-7,9-10H,2-4,8,11H2,1H3;3-6H,2H2,1H3,(H,10,11)/p-1