3-butyl-2-methyl-benzoate

Systemtic Name: 3-butyl-2-methyl-benzoate Openeye Name: 3-butyl-2-methyl-benzoate CAS Name: 3-butyl-2-methylbenzoate IUPAC Name: 3-butyl-2-methylbenzoate Traditional Name: 3-butyl-2-methyl-benzoate Formula: C12H15O2- MolecularWeight: 191.2463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC(=C1C)C(=O)[O-]

InChI

InChI=1S/C12H16O2/c1-3-4-6-10-7-5-8-11(9(10)2)12(13)14/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)/p-1