4-heptylbenzoate

Systemtic Name: 4-heptylbenzoate Openeye Name: 4-heptylbenzoate CAS Name: 4-heptylbenzoate IUPAC Name: 4-heptylbenzoate Traditional Name: 4-heptylbenzoate Formula: C14H19O2- MolecularWeight: 219.29946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)/p-1