2-chloranyl-4-pentyl-benzoate

Systemtic Name: 2-chloranyl-4-pentyl-benzoate Openeye Name: 2-chloro-4-pentyl-benzoate CAS Name: 2-chloro-4-pentylbenzoate IUPAC Name: 2-chloro-4-pentylbenzoate Traditional Name: 4-amyl-2-chloro-benzoate Formula: C12H14ClO2- MolecularWeight: 225.69136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C(=O)[O-])Cl

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C(=O)[O-])Cl

InChI

InChI=1S/C12H15ClO2/c1-2-3-4-5-9-6-7-10(12(14)15)11(13)8-9/h6-8H,2-5H2,1H3,(H,14,15)/p-1