4-methylpentyl benzoate

Systemtic Name: 4-methylpentyl benzoate Openeye Name: isohexyl benzoate CAS Name: benzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl benzoate Traditional Name: benzoic acid isohexyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18O2/c1-11(2)7-6-10-15-13(14)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3