(4-pentylphenyl) benzoate

Systemtic Name: (4-pentylphenyl) benzoate Openeye Name: (4-pentylphenyl) benzoate CAS Name: benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) benzoate Traditional Name: benzoic acid (4-amylphenyl) ester Formula: C18H20O2 MolecularWeight: 268.3502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20O2/c1-2-3-5-8-15-11-13-17(14-12-15)20-18(19)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3