4-hexylbenzoate

Systemtic Name: 4-hexylbenzoate Openeye Name: 4-hexylbenzoate CAS Name: 4-hexylbenzoate IUPAC Name: 4-hexylbenzoate Traditional Name: 4-hexylbenzoate Formula: C13H17O2- MolecularWeight: 205.27288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15)/p-1