2-(3-methylbutyl)benzoate

Systemtic Name: 2-(3-methylbutyl)benzoate Openeye Name: 2-isopentylbenzoate CAS Name: 2-(3-methylbutyl)benzoate IUPAC Name: 2-(3-methylbutyl)benzoate Traditional Name: 2-isoamylbenzoate Formula: C12H15O2- MolecularWeight: 191.2463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CC(C)CCC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C12H16O2/c1-9(2)7-8-10-5-3-4-6-11(10)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)/p-1