pentan-2-yl benzoate

Systemtic Name: pentan-2-yl benzoate Openeye Name: 1-methylbutyl benzoate CAS Name: benzoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl benzoate Traditional Name: benzoic acid 1-methylbutyl ester Formula: C12H16O2 MolecularWeight: 192.25424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCC(C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H16O2/c1-3-7-10(2)14-12(13)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3